Basic information
- CAS
7215-04-5- Standard SMILES
Nc1ccc(C2CNC2)cc1- InChIKey
WQYSQTBNUZIFNI-UHFFFAOYSA-N- Molecular formula
- C9H12N2
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10004839
Names & identifiers
- Preferred name
- Azetidine, 3-(p-aminophenyl)-
- IUPAC
- 4-(azetidin-3-yl)aniline
- English name
- 4-(azetidin-3-yl)aniline
- Molecular formula
- C9H12N2
- Molecular weight
- 148.21
Names & synonyms
7215-04-5p-(3-Azetidinyl)aniline3-(p-Aminophenyl)azetidineAniline, p-(3-azetidinyl)-AZETIDINE, 3-(p-AMINOPHENYL)-L 2409BRN 0473126DTXSID102224735-22-09-00466 (Beilstein Handbook Reference)RefChem:320358DTXCID101449644-(azetidin-3-yl)aniline
Show more names
Benzenamine, 4-(3-azetidinyl)-
4-(3-Azetidinyl)anilineSCHEMBL520532GS0575MFCD01665363AKOS006342222SY408169F95560EN300-6772636
Database identifiers
- CAS
7215-04-5- PubChem CID
- 23622
- DTXSID
DTXSID10222473- Nikkaji
- J84.660K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 305.8 · 305.8±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.99 · 10.99±0.40(Predicted)
Chemistry & industry
Suppliers5 total
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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