Benzeneacetic acid, alpha-ethyl-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
1870-65-1- Standard SMILES
CCC(C(=O)O)c1ccccc1.NCCO- InChIKey
OBBCMAHJFIJQIK-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Overview
structure in Negwer, 5th ed, #1295
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-ethyl-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;2-phenylbutanoic acid
Names & synonyms
Cetamiphen1870-65-1RefChem:124684TstamifenCetimiphenPhenexolDTXSID509401642-Phenylbutanoic acid--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
1870-65-1- PubChem CID
- 15858
- DTXSID
DTXSID50940164
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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