2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate
Basic information
- CAS
108132-36-1- Standard SMILES
CN(CCc1ccccc1)c1ccc2c(c1)CCCO2.O=CC(O)CO- InChIKey
TWQUYEFKVTWSRJ-UHFFFAOYSA-N- Molecular formula
- C21H27NO4
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.19400834
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate
- IUPAC
- 2,3-dihydroxypropanal;N-methyl-N-(2-phenylethyl)-3,4-dihydro-2H-chromen-6-amine
Names & synonyms
2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate108132-36-1RefChem:10651972H-1-Benzopyran-6-methylamine, 3,4-dihydro-alpha-phenethyl-, lactate3,4-Dihydro-alpha-(2-phenylethyl)-2H-1-benzopyran-6-methanamine 2-hydroxypropanoateDTXSID409106342,3-Dihydroxypropanal--N-methyl-N-(2-phenylethyl)-3,4-dihydro-2H-1-benzopyran-6-amine (1/1)
Database identifiers
- CAS
108132-36-1- PubChem CID
- 60221
- DTXSID
DTXSID40910634
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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