N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
Basic information
- CAS
719285-67-3- Standard SMILES
Nc1ccccc1Nc1nc2ccccc2[nH]1- InChIKey
ZZDGNBWCSPZNRU-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Overview
N2-(1H-benzimidazol-2-yl)benzene-1,2-diamine is a member of benzimidazoles.
Names & identifiers
- Preferred name
- N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
- IUPAC
- 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine
- English name
- N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
- Molecular formula
- C13H12N4
- Molecular weight
- 224.26
Names & synonyms
N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine719285-67-3N1-(1H-Benzo[d]imidazol-2-yl)benzene-1,2-diamineN2-(1H-benzimidazol-2-yl)benzene-1,2-diamine2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine(2-aminophenyl)benzimidazol-2-ylamineAWGOprea1_709043MLS001209124SCHEMBL9081342CHEMBL1409855N1-(1H-1,3-BENZODIAZOL-2-YL)BENZENE-1,2-DIAMINE
Show more names
TIMTEC-BB SBB011531ASINEX-REAG BAS 00547128N-(1H-benzimidazol-2-yl)benzene-1,2-diamine1,2-Benzenediamine, N1-1H-benzimidazol-2-yl-
CHEBI:120925HMS2844G24MFCD01029259SBB011531AKOS000283181SMR000514584ST048820F93663
Database identifiers
- CAS
719285-67-3- PubChem CID
- 672245
- ChEMBL
CHEMBL1409855- ChEBI
CHEBI:120925- EC Number
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Solubility>33.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 461.7 · 461.7±47.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- pka
- 11.21 · 11.21±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- HazardClass
- IRRITANT
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Additional notes
DefinitionChEBI: N2-(1H-benzimidazol-2-yl)benzene-1,2-diamine is a member of benzimidazoles.
Suppliers
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Related reactions
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Compound notes
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