Basic information
- CAS
66919-79-7- Standard SMILES
CCOC(=O)C(Cc1ccccc1)NC(=O)N(CCCl)CCCl- InChIKey
AJZMFKRNMODVQI-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2N2O3
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.100748
Names & identifiers
- Preferred name
- Ethyl N-[bis(2-chloroethyl)carbamoyl]phenylalaninate
- IUPAC
- ethyl 2-[bis(2-chloroethyl)carbamoylamino]-3-phenylpropanoate
Names & synonyms
66919-79-794347-14-5Ethyl N-[bis(2-chloroethyl)carbamoyl]phenylalaninateNSC61564DTXSID50289484DTXSID801174492NSC70632NSC-61564NSC-70632Alanine, N-[bis(2-chloroethyl)carbamoyl]-3-phenyl-, ethyl ester
Database identifiers
- CAS
66919-79-7、94347-14-5- PubChem CID
- 247201
- DTXSID
DTXSID50289484
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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