Basic information
- CAS
13024-49-2- Standard SMILES
Nc1ccc(CCc2ccccc2)cc1- InChIKey
ZRPMISJEZSOSQC-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- 4-(2-Phenylethyl)aniline
- IUPAC
- 4-(2-phenylethyl)aniline
- English name
- 4-(2-PHENYLETHYL)ANILINE
- Molecular formula
- C14H15N
- Molecular weight
- 197.28
Names & synonyms
4-(2-Phenylethyl)anilinep-PhenethylanilineAniline, p-phenethyl-4-(2-Phenylethyl)benzenamineCCRIS 5149NSC 210538BRN 2097629631H8Q18TR1-(4-Aminophenyl)-2-phenylethaneNSC-210538UNII-631H8Q18TRDTXSID5036840
Show more names
Benzenamine,4-(2-phenylethyl)-
4-12-00-03312 (Beilstein Handbook Reference)RefChem:97081DTXCID3016840Aniline, p-phenethyl-(6CI,7CI,8CI)ZRPMISJEZSOSQC-UHFFFAOYSA-N13024-49-24-phenethylaniline4-Aminodibenzyl
Database identifiers
- CAS
13024-49-2- PubChem CID
- 83054
- DTXSID
DTXSID5036840- ChEMBL
CHEMBL1739048- UNII
- 631H8Q18TR
- Nikkaji
- J81.531D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 52 · 52-54 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 320.1 · 320.1±11.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- pka
- 4.9 · 4.90±0.10(Predicted)
- FDA UNII
- 631 H8Q18TR · 631H8Q18TR
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
2 records
Compound notes
Loading…