Basic information
- CAS
29786-41-2- Standard SMILES
Cc1ccc(C2(C#N)CCC2)cc1- InChIKey
DXJLBWWXUBESNJ-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)cyclobutane-1-carbonitrile
- IUPAC
- 1-(4-methylphenyl)cyclobutane-1-carbonitrile
- English name
- 1-[(4-methylphenyl)amino]cyclobutanecarbonitrile
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
29786-41-21-(4-Methylphenyl)cyclobutane-1-carbonitrile1-(p-Tolyl)cyclobutanecarbonitrile1-(4-Methylphenyl)cyclobutanecarbonitrileMFCD11036718SCHEMBL625524DTXSID00655897AC5831AKOS0093750171-(P-tolyl)cyclobutane-1-carbonitrileSY225616CS-0450682
Show more names
CYCLOBUTANECARBONITRILE, 1-(4-METHYLPHENYL)-1-[(4-methylphenyl)amino]cyclobutanecarbonitrile
EN300-1867500
Database identifiers
- CAS
29786-41-2- PubChem CID
- 43345641
- DTXSID
DTXSID00655897- Nikkaji
- J2.314.100K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 92 · 92-93 °C(Press: 0.3 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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