1-methyl-1H-1,3-benzodiazol-5-amine

HCID 315499

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Basic information

CAS: 10394-38-4
Standard SMILES: Cn1cnc2cc(N)ccc21
InChIKey: IWBGBYZGEQUDBT-UHFFFAOYSA-N
Molecular formula: C8H9N3
Average molar mass: 147.18 g/mol
Monoisotopic mass: 147.07964729

Names & identifiers

Preferred name: 1-methyl-1H-1,3-benzodiazol-5-amine
IUPAC: 1-methylbenzimidazol-5-amine
English name: 1-Methyl-1H-benzoimidazol-5-ylamine trihydrochloride
Molecular formula: C8H9N3
Molecular weight: 147.18

Names & synonyms

1-methyl-1H-1,3-benzodiazol-5-amineRefChem:433800810-428-710394-38-41-methylbenzoimidazol-5-amine1-methylbenzimidazol-5-amine1-methyl-1H-benzo[d]imidazol-5-amine1-methyl-1H-benzimidazol-5-amine1-Methyl-1H-benzoimidazol-5-ylamineMFCD031643495-amino-1-methylbenzimidazole1-methyl-1h-benzimidazol-5-ylamine

Show more names

NSC 2407601-Methyl-5-aminobenzimidazole1-methylbenzimidazole-5-amine5-Amino-1-methylbenzimidazole,97%

5-amino-1-methyl-1h-benzimidazole1-METHYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE1-METHYL-1H-1,3-BENZIMIDAZOL-5-AMINE1-methylbenzimidazole-5-ylamine1-METHYL-1H-BENZIMIDAZOL-5-AMINE HYDROCHLORIDENSC2407601H-Benzimidazol-5-amine, 1-methyl-BAS 06911370

Database identifiers

CAS: 10394-38-4
PubChem CID: 315499
DTXSID: DTXSID20311266
EC Number: 810-428-7

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: 158 · 158-159 °C
Boiling point: 348.6 · 348.6±34.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Solid
pka: 6.35 · 6.35±0.10(Predicted)
Appearance: Light brown to black Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.