1-Methyl-1H-benzimidazol-6-amine

HCID 13680283

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Basic information

CAS: 26530-93-8
Standard SMILES: Cn1cnc2ccc(N)cc21
InChIKey: AYZALFCBEKQGRT-UHFFFAOYSA-N
Molecular formula: C8H9N3
Average molar mass: 147.18 g/mol
Monoisotopic mass: 147.0796473

Names & identifiers

Preferred name: 1-Methyl-1H-benzimidazol-6-amine
IUPAC: 3-methylbenzimidazol-5-amine
English name: 1H-Benzimidazol-6-amine,1-methyl-(9CI)
Molecular formula: C8H9N3
Molecular weight: 147.18

Names & synonyms

26530-93-81-METHYL-1H-BENZIMIDAZOL-6-AMINEDTXSID90546563RefChem:231473DTXCID704973471-Methyl-1H-benzo[d]imidazol-6-amine1H-Benzimidazol-6-amine, 1-methyl-3-methylbenzimidazol-5-amineMFCD097640506-Amino-1-methylbenzimidazole1-methylbenzimidazole-6-ylamine1H-Benzimidazol-6-amine,1-methyl-(9CI)

Show more names

3-methyl-5-benzimidazolamine(3-methylbenzimidazol-5-yl)amine1-methyl-1H-benzimidazol-6-amine(SALTDATA: FREE)

1-methyl-1H-1,3-benzodiazol-6-amine1-methyl-6-aminobenzimidazole3-methyl-5-aminobenzimidazoleSCHEMBL5208546-amino-1-methyl-benzimidazoleAYZALFCBEKQGRT-UHFFFAOYSA-N1-methyl-1H-benzoimidazol-6-amineALBB-013281

Database identifiers

CAS: 26530-93-8
PubChem CID: 13680283
DTXSID: DTXSID90546563
Nikkaji: J640.948B

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 160 °C · 160 °C
Boiling point: 180 · 180-185 °C(Press: 4 Torr)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 6.16 · 6.16±0.10(Predicted)
Appearance: Off-white to pink Solid
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Warning
Hazard statements: 225 · H225-H318-H320-H335-H336
Precautionary statements: 242 · P242-P261-P271-P280-P304+P340-P305+P351+P338-P310-P370+P378r-P403+P233-P501c
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS02,GHS05,GHS07
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H225-H318-H320-H335-H336
Precautionary statements: P242-P261-P271-P280-P304+P340-P305+P351+P338-P310-P370+P378r-P403+P233-P501c