Basic information
- CAS
17601-74-0- Standard SMILES
N#CCCN(CCc1ccccc1)c1ccccc1- InChIKey
ACCLIXSHFMDCLV-UHFFFAOYSA-N- Molecular formula
- C17H18N2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.14699858
Names & identifiers
- Preferred name
- 3-(Phenyl(2-phenylethyl)amino)propiononitrile
- IUPAC
- 3-[N-(2-phenylethyl)anilino]propanenitrile
- English name
- 3-[phenyl(2-phenylethyl)amino]propiononitrile
- Molecular formula
- C17H18N2
- Molecular weight
- 250.34
Names & synonyms
17601-74-03-(Phenyl(2-phenylethyl)amino)propiononitrile3-[N-(2-phenylethyl)anilino]propanenitrile3-[phenyl(2-phenylethyl)amino]propanenitrile3-[Phenyl(2-phenylethyl)amino]propiononitrile9U9JQL6AH3EINECS 241-572-3UNII-9U9JQL6AH3SCHEMBL8055910DTXSID30170068ACCLIXSHFMDCLV-UHFFFAOYSA-NAKOS000200151
Show more names
N-cyanoethyl-N-phenylethylaniline3-(Phenethyl(phenyl)aMino)propanenitrileN-(2-Cyanoethyl)-N-(2-phenylethyl)-aniline3-[Phenyl(2-phenylethyl)amino]propiononitrilN-Cynoethly-N-Phenethly Aniline (RM for Disperse Violet 48)
NS00025780Propanenitrile, 3-[phenyl(2-phenylethyl)amino]-
Database identifiers
- CAS
17601-74-0- PubChem CID
- 87171
- DTXSID
DTXSID30170068- UNII
- 9U9JQL6AH3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 432.9 · 432.9±38.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 4.97 · 4.97±0.50(Predicted)
- FDA UNII
- 9 U9JQL6AH3 · 9U9JQL6AH3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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