3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
Basic information
- CAS
94086-79-0- Standard SMILES
Nc1cccc(C2=NCCN2)c1- InChIKey
HCJAVYDERMMIDO-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529736
Names & identifiers
- Preferred name
- 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-2-yl)aniline
- English name
- 3-(4,5-dihydro-1H-imidazol-2-yl)aniline
- Molecular formula
- C9H11N3
- Molecular weight
- 161.2
Names & synonyms
3-(4,5-Dihydro-1H-imidazol-2-yl)aniline94086-79-00196353FZ5UNII-0196353FZ5EINECS 301-869-1TimTec1_001665Benzenamine, 3-(4,5-dihydro-1H-imidazol-2-yl)-SCHEMBL4094123SCHEMBL27479863SCHEMBL29446967DTXSID50240398HMS1538L15
Show more names
3-[(4,5-Dihydro-1H-imidazol)-2-yl]benzenamine
3-(2-imidazolin-2-yl)phenylamine2-(M-AMINOPHENYL)IMIDAZOLINESTK367893AKOS001740539NCGC00174187-01ST023262EU-0086620NS00039963
Database identifiers
- CAS
94086-79-0- PubChem CID
- 414213
- DTXSID
DTXSID50240398- UNII
- 0196353FZ5
- EC Number
- 301-869-1
- Nikkaji
- J291.227I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 339.3 · 339.3±44.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 10.07 · 10.07±0.40(Predicted)
- FDA UNII
- 196353 FZ5 · 0196353FZ5
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Compound notes
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