Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-

HCID 14653

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1222-64-6
Standard SMILES: NC(Cc1ccc(N(CCF)CCCl)cc1)C(=O)O
InChIKey: GOVSJKZCEOJJLF-UHFFFAOYSA-N
Molecular formula: C13H18ClFN2O2
Average molar mass: 288.74 g/mol
Monoisotopic mass: 288.10408372

Names & identifiers

Preferred name: Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
IUPAC: 2-amino-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid

Names & synonyms

3-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)alanine1222-64-6ALANINE, 3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-RefChem:317964NCIOpen2_004469DTXSID40924110NSC81715NSC-817154-[(2-Chloroethyl)(2-fluoroethyl)amino]phenylalanineDL-Phenylalanine, 4-[(2-chloroethyl)(2-fluoroethyl)amino]-DL-Alanine, 3-[[p-(2-chloroethyl)(2-fluoroethyl)amino]phenyl]-

Database identifiers

CAS: 1222-64-6
PubChem CID: 14653
DTXSID: DTXSID40924110

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 273

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…