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

HCID 20249

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Basic information

CAS: 1222-66-8
Standard SMILES: NC(Cc1ccc(N(CCF)CCF)cc1)C(=O)O
InChIKey: IQLKPDQPLGAXJF-UHFFFAOYSA-N
Molecular formula: C13H18F2N2O2
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.13363426

Names & identifiers

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

Names & synonyms

3-(p-(Bis(2-fluoroethyl)amino)phenyl)alanine4252-40-8ALANINE, 3-(p-(BIS(2-FLUOROETHYL)AMINO)PHENYL)-RefChem:317971NCIOpen2_0045224-[Bis(2-fluoroethyl)amino]phenylalanineDTXSID80962551NSC82834NSC-82834

Database identifiers

CAS: 1222-66-8、4252-40-8
PubChem CID: 20249
DTXSID: DTXSID80962551

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 265

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