Ethyl 3-aminobut-2-enoate hydrochloride
Basic information
- CAS
89095-42-1- Standard SMILES
CCOC(=O)C=C(C)N.Cl- InChIKey
MXLCVUZJGATRLX-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO2
- Average molar mass
- 165.62 g/mol
- Monoisotopic mass
- 165.0556563
Names & identifiers
- Preferred name
- Ethyl 3-aminobut-2-enoate hydrochloride
- IUPAC
- ethyl 3-aminobut-2-enoate;hydrochloride
Names & synonyms
89095-42-1ETHYL 3-AMINOBUT-2-ENOATE HYDROCHLORIDEDTXSID00751742Ethyl 3-aminobut-2-enoate--hydrogen chloride (1/1)
Database identifiers
- CAS
89095-42-1- PubChem CID
- 71322011
- DTXSID
DTXSID00751742
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…