3-(Dichloroamino)propanoic acid
Basic information
- CAS
58941-15-4- Standard SMILES
O=C(O)CCN(Cl)Cl- InChIKey
AZKHCWNPCUORLC-UHFFFAOYSA-N- Molecular formula
- C3H5Cl2NO2
- Average molar mass
- 157.98 g/mol
- Monoisotopic mass
- 156.9697338
Names & identifiers
- Preferred name
- 3-(Dichloroamino)propanoic acid
- IUPAC
- 3-(dichloroamino)propanoic acid
Names & synonyms
58941-15-43-(dichloroamino)propanoic acidN,N-Dichloro-beta-alanineNSC211533SCHEMBL1191566DTXSID50309257NSC-211533
Database identifiers
- CAS
58941-15-4- PubChem CID
- 309288
- DTXSID
DTXSID50309257- Nikkaji
- J1.442.363J
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 85.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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