N-benzyl-1H-1,3-benzodiazol-2-amine
Basic information
- CAS
27185-21-3- Standard SMILES
c1ccc(CNc2nc3ccccc3[nH]2)cc1- InChIKey
FXMPPQGQNSTUGE-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- N-benzyl-1H-1,3-benzodiazol-2-amine
- IUPAC
- N-benzyl-1H-benzimidazol-2-amine
- English name
- (1H-Benzoimidazol-2-yl)-benzyl-amine
- Molecular formula
- C14H13N3
- Molecular weight
- 223.27
Names & synonyms
N-benzyl-1H-1,3-benzodiazol-2-amineRefChem:829089821-709-927185-21-3N-Benzyl-1H-benzimidazol-2-amine(1H-Benzoimidazol-2-yl)-benzyl-amineN-benzyl-1H-benzo[d]imidazol-2-amine2-benzylaminobenzimidazoleMFCD00182090CHEMBL456446benzimidazol-2-ylbenzylamineSMR000060575
Show more names
1H-Benzimidazol-2-amine, N-(phenylmethyl)-
2-benzyliminobenzimidazolineOprea1_472327Oprea1_854466MLS0000979382-(N-Benzylamino)benzimidazoleSCHEMBL3593419SCHEMBL9427628SCHEMBL31329340
Database identifiers
- CAS
27185-21-3- PubChem CID
- 563446
- ChEMBL
CHEMBL456446- EC Number
- 821-709-9
- Nikkaji
- J2.312.619B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
LogP2.92
Physicochemical properties
- Melting point
- 165 · 165-166 °C
- Boiling point
- 438.5 · 438.5±38.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 11.48 · 11.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
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)
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
- H335-H319-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
2 records
Compound notes
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