Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-

HCID 47501

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Basic information

CAS: 64977-06-6
Standard SMILES: CC(N)(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
InChIKey: FZMFZUVMIYPKNS-UHFFFAOYSA-N
Molecular formula: C14H20Cl2N2O2
Average molar mass: 319.2 g/mol
Monoisotopic mass: 318.0901833

Names & identifiers

Preferred name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-
IUPAC: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid

Names & synonyms

64977-06-6ALANINE, 3-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-2-METHYL-RefChem:1076288Phenylalanine, 4-(bis(2-chloroethyl)amino)-alpha-methyl-NSC 260629CB 17463-(p-(Bis(2-chloroethyl)amino)phenyl)-2-methylalanineCHEMBL3247494NSC260629NSC-260629Phenylalanine, 4-[bis(2-chloroethyl)amino]-.alpha.-methyl-

Database identifiers

CAS: 64977-06-6
PubChem CID: 47501
ChEMBL: CHEMBL3247494

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 304

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