Basic information
- CAS
90-86-8- Standard SMILES
CC(C(O)c1ccccc1)N(C)CC=Cc1ccccc1- InChIKey
YMJMZFPZRVMNCH-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- 2-[Methyl(3-phenylprop-2-en-1-yl)amino]-1-phenylpropan-1-ol
- IUPAC
- 2-[methyl(3-phenylprop-2-enyl)amino]-1-phenylpropan-1-ol
- English name
- cinnamedrine
- Molecular formula
- C19H23NO
- Molecular weight
- 281.39
Names & synonyms
SCHEMBL25072orb1697785Benzenemethanol, alpha-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]-2-[Methyl(3-phenylprop-2-en-1-yl)amino]-1-phenylpropan-1-olcinnamedrineN - CINNAMYL - L - EPHEDRINEα-[1-[Methyl(3-phenyl-2-propenyl)amino]ethyl]benzenemethanolBenzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]-
Database identifiers
- CAS
90-86-8- PubChem CID
- 46554
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 75 °C · 75°C
- Boiling point
- 424.06 °C · 424.06°C (rough estimate)
- Density
- 1.0423 · 1.0423 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 13.89 · 13.890±0.20(predicted)
- FDA UNII
- 1245 J8012 · Y1245J8012
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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