Basic information
- CAS
16728-84-0- Standard SMILES
Cc1ccc(NCC#N)cc1- InChIKey
YDENRXHJQSFQKP-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- ((4-Methylphenyl)amino)acetonitrile
- IUPAC
- 2-(4-methylanilino)acetonitrile
- English name
- [(4-methylphenyl)amino]acetonitrile
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
((4-Methylphenyl)amino)acetonitrile16728-84-02-[(4-methylphenyl)amino]acetonitrile2-(4-methylanilino)acetonitrile[(4-methylphenyl)amino]acetonitrileAI3-02758NSC-6859Acetonitrile, ((4-methylphenyl)amino)-2-(p-tolylamino)acetonitrileNSC6859EINECS 240-794-8p-Tolylaminoazetonitril
Show more names
Acetonitrile, 2-[(4-methylphenyl)amino]-
Enamine_0036462VJB5U8GQ4(4-Methylanilino)acetonitrile2-(4-Tolylamino)acetonitrileSCHEMBL8395286DTXSID30168268YDENRXHJQSFQKP-UHFFFAOYSA-NHMS1404F16
Database identifiers
- CAS
16728-84-0- PubChem CID
- 85581
- DTXSID
DTXSID30168268- UNII
- 2VJB5U8GQ4
- EC Number
- 240-794-8
- Nikkaji
- J236.843I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- FDA UNII
- 2 VJB5U8GQ4 · 2VJB5U8GQ4
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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