Basic information
- CAS
95627-94-4- Standard SMILES
C=C(C)c1cccc(C(C)(C)N)c1- InChIKey
DWDJGSQWSMJSGV-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- 2-(3-(Prop-1-en-2-yl)phenyl)propan-2-amine
- IUPAC
- 2-(3-prop-1-en-2-ylphenyl)propan-2-amine
- English name
- 2-(3-(prop-1-en-2-yl)phenyl)propan-2-amine
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
2-(3-(prop-1-en-2-yl)phenyl)propan-2-amine95627-94-42-(3-prop-1-en-2-ylphenyl)propan-2-amine1-(3-Isopropenyl-phenyl)-1-methyl-ethylamine3-Isopropenyl-alpha,alpha-Dimethylbenzylamine1-methyl-1-[3-(1-methylethenyl)phenyl]ethylamineSCHEMBL1304921SCHEMBL5664258DTXSID501342759AKOS0302390112-(3-isopropenylphenyl)propan-2-amineF95365
Show more names
133991Benzenemethanamine, α,α-dimethyl-3-(1-methylethenyl)-
Database identifiers
- CAS
95627-94-4- PubChem CID
- 14716541
- DTXSID
DTXSID501342759- EC Number
- 164-348-6
- Nikkaji
- J157.800F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 265.8 · 265.8±9.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.10(Predicted)
Chemistry & industry
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
无锡金洛里医药科技有限公司18021193238 · [email protected]
Related reactions
11 records
Compound notes
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