N,N,N',N',N''-Pentamethylguanidine

HCID 139457CAS 13439-84-4

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Basic information

Standard SMILES: CN=C(N(C)C)N(C)C
InChIKey: ISNICOKBNZOJQG-UHFFFAOYSA-N
Molecular formula: C6H15N3
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.12659748

Names & identifiers

Preferred name: N,N,N',N',N''-Pentamethylguanidine
IUPAC: 1,1,2,3,3-pentamethylguanidine
English name: 1,1,2,3,3-PentaMethyl Guanidine
Molecular formula: C6H15N3
Molecular weight: 129.2

Names & synonyms

N,N,N',N',N''-Pentamethylguanidine13439-84-4DTXSID70158683RefChem:358593DTXCID10811741,1,2,3,3-pentamethylguanidinePentamethylguanidine1,1,2,3,3-PentaMethyl GuanidineGuanidine, pentamethyl-pentamethyl guanidineSCHEMBL135887ISNICOKBNZOJQG-UHFFFAOYSA-N

Show more names

Guanidine, N,N,N',N',N''-pentamethyl-DB-225838G71968

Database identifiers

CAS: 13439-84-4
PubChem CID: 139457
DTXSID: DTXSID70158683
Nikkaji: J337.323A

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 18.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Boiling point: 155 · 155-160 °C
Density: 0.85 · 0.85±0.1 g/cm3(Predicted)
pka: 13.78 · 13.78±0.70(Predicted)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H302+H312+H332-H314
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS05
Hazard statements: H225-H302+H312+H332-H314
Precautionary statements: P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501