1H-Benzimidazol-2-amine, 1,5-dimethyl-
Basic information
- CAS
39860-12-3- Standard SMILES
Cc1ccc2c(c1)nc(N)n2C- InChIKey
VJDQEQWPZTVEIN-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529736
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, 1,5-dimethyl-
- IUPAC
- 1,5-dimethylbenzimidazol-2-amine
- English name
- 1,5-dimethylbenzoimidazol-2-amine
- Molecular formula
- C9H11N3
- Molecular weight
- 161.2
Names & synonyms
39860-12-3CCRIS 43611H-Benzimidazol-2-amine, 1,5-dimethyl-1,5-Dimethyl-2-aminobenzimidazole1,5-Dimethyl-1H-benzimidazol-2-amineBRN 0880435DTXSID801929125-25-10-00512 (Beilstein Handbook Reference)RefChem:438060DTXCID201154031,5-Dimethyl-1H-benzo[d]imidazol-2-amine1,5-DIMETHYLBENZOIMIDAZOL-2-AMINE
Show more names
1H-Benzimidazol-2-amine,1,5-dimethyl-(9CI)
2-Amino-1,5-dimethylbenzimidazole1,5-dimethylbenzimidazol-2-amineMFCD016582911,5-dimethyl-1H-1,3-benzodiazol-2-amineKDE7UV7U6ESCHEMBL11823PBA86012RB3387
Database identifiers
- CAS
39860-12-3- PubChem CID
- 94499
- DTXSID
DTXSID80192912- UNII
- KDE7UV7U6E
- EC Number
- 112-741-8
- Nikkaji
- J484.324J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
LogP1.47
Physicochemical properties
- Melting point
- 232 · 232-233 °C(Solv: water (7732-18-5))
- Boiling point
- 348.1 · 348.1±35.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 7.27 · 7.27±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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