Basic information
- CAS
99206-51-6- Standard SMILES
Nc1ccc(Cc2nc3ccccc3[nH]2)cc1- InChIKey
PNSYWRFRQUUYMG-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 4-(1H-Benzoimidazol-2-ylmethyl)-phenylamine
- IUPAC
- 4-(1H-benzimidazol-2-ylmethyl)aniline
- English name
- 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE
- Molecular formula
- C14H13N3
- Molecular weight
- 223.27
Names & synonyms
99206-51-64-(1H-Benzoimidazol-2-ylmethyl)-phenylamine4-((1H-Benzo[d]imidazol-2-yl)methyl)aniline4-(1H-Benzimidazol-2-ylmethyl)aniline4-(1h-1,3-benzodiazol-2-ylmethyl)anilineMFCD037733194-[(1H-1,3-benzodiazol-2-yl)methyl]anilineNSC1103072-[p-Aminobenzyl]benzimidazoleSCHEMBL4035157SCHEMBL4035159CHEMBL3325832
Show more names
Benzenamine, 4-(1H-benzimidazol-2-ylmethyl)-4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE
DTXSID70296599PNSYWRFRQUUYMG-UHFFFAOYSA-NHMS1684O16BBL034882CCG-24521STL423057AKOS000158858NSC-110307
Database identifiers
- CAS
99206-51-6- PubChem CID
- 269347
- DTXSID
DTXSID70296599- ChEMBL
CHEMBL3325832
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 525.3 · 525.3±33.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 11.88 · 11.88±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- 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.
Safety data
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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