Basic Description

Synonyms	Guanidine, N,N'-dibutyl- \| 57028-96-3 \| 34331-58-3 \| 1,2-dibutylguanidine \| CHEMBL80081 \| 1,3-dibutylguanidine \| (E)-1,2-Dibutylguanidine \| N,N''-DIBUTYLGUANIDINE \| SCHEMBL1276675 \| DTXSID90563856 \| HXEJAEDEMWCUTP-UHFFFAOYSA-N \| BDBM50010749 \| N,N''-Dibutyl-guanidine (C6H3N3O7) \|
Specifications & Purity	25% aqueous solution
Storage Temp	Room temperature
Shipped In	Normal

AI Insight

Associated Targets(Human)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (2 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,2-dibutylguanidine
INCHI	InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)
InChi Key	HXEJAEDEMWCUTP-UHFFFAOYSA-N
Canonical SMILES	CCCCNC(=NCCCC)N
Isomeric SMILES	CCCCNC(=NCCCC)N
PubChem CID	14771682

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	souble in water
Sensitivity	Heat sensitive
Molecular Weight	171.280 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	171.174 Da
Monoisotopic Mass	171.174 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS09, GHS05, GHS07
Signal	Danger
Hazard Statements	H315: Causes skin irritation H335: May cause respiratory irritation H302: Harmful if swallowed H318: Causes serious eye damage H317: May cause an allergic skin reaction H400: Very toxic to aquatic life H410: Very toxic to aquatic life with long lasting effects
Precautionary Statements	P261: Avoid breathing dust/fume/gas/mist/vapors/spray. P273: Avoid release to the environment. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: wash with plenty of water. P321: Specific treatment (see ... on this label). P405: Store locked up. P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P271: Use only outdoors or in a well-ventilated area. P270: Do not eat, drink or smoke when using this product. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233: Store in a well-ventilated place. Keep container tightly closed. P272: Contaminated work clothing should not be allowed out of the workplace. P333+P313: IF SKIN irritation or rash occurs: Get medical advice/attention. P362+P364: Take off contaminated clothing and wash it before reuse. P391: Collect spillage. P330: Rinse mouth. P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317: IF SWALLOWED: Get medical help. P305+P354+P338: IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317: Get emergency medical help. P332+P317: If skin irritation occurs: Get medical help. P319: Get medical help if you feel unwell.

Specifications

Specification Sheet

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Zhang Huan, Zhao Qinghua, Zhong Yaping, Cai Ruiyan, Liu Ke, Wang Dong, Lu Zhentan. (2023) One-step Eco-friendly Fabrication of Antibacterial Polyester Via On-line Amination Reaction by Melt Coextrusion. JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION, 38 (5): (1205-1212). [PMID:18621045] [10.1007/s11595-023-2811-4]
2. Xuehua Li, Yali Liu, Hongrong Song, Meiting Zhao, Qin Song. (2023) Antioxidant, antibacterial, and anti-inflammatory Periplaneta americana remnant chitosan/polysaccharide composite film: In vivo wound healing application evaluation. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 237 (124068). [PMID:36934824] [10.1016/j.ijbiomac.2023.124068]
3. Minghao Jia, Xiaoxia Huang, Xiaogang Zhang, Gang Hu. (2022) PHMG-KH560 as antifungal and reinforcement media for paper materials. JOURNAL OF CULTURAL HERITAGE, 55 (58). [PMID:] [10.1016/j.culher.2022.02.008]
4. Yang Li, Pingxiong Cai, Zhang-fa Tong, Huining Xiao, Yuanfeng Pan. (2017) Preparation of Copolymer-Based Nanoparticles with Broad-Spectrum Antimicrobial Activity. Polymers, 9 (12): (717). [PMID:30966016] [10.3390/polym9120717]

References

1. Zhang Huan, Zhao Qinghua, Zhong Yaping, Cai Ruiyan, Liu Ke, Wang Dong, Lu Zhentan. (2023) One-step Eco-friendly Fabrication of Antibacterial Polyester Via On-line Amination Reaction by Melt Coextrusion. JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION, 38 (5): (1205-1212). [PMID:18621045] [10.1007/s11595-023-2811-4]
2. Xuehua Li, Yali Liu, Hongrong Song, Meiting Zhao, Qin Song. (2023) Antioxidant, antibacterial, and anti-inflammatory Periplaneta americana remnant chitosan/polysaccharide composite film: In vivo wound healing application evaluation. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 237 (124068). [PMID:36934824] [10.1016/j.ijbiomac.2023.124068]
3. Minghao Jia, Xiaoxia Huang, Xiaogang Zhang, Gang Hu. (2022) PHMG-KH560 as antifungal and reinforcement media for paper materials. JOURNAL OF CULTURAL HERITAGE, 55 (58). [PMID:] [10.1016/j.culher.2022.02.008]
4. Yang Li, Pingxiong Cai, Zhang-fa Tong, Huining Xiao, Yuanfeng Pan. (2017) Preparation of Copolymer-Based Nanoparticles with Broad-Spectrum Antimicrobial Activity. Polymers, 9 (12): (717). [PMID:30966016] [10.3390/polym9120717]

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SKU	Size	Availability	Price
P304026-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
P304026-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
P304026-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$283.90

Polyhexamethyleneguanidine hydrochloride - 25% aqueous solution, high purity , CAS No.57028-96-3