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Melphalan Impurity 15

CAT: 1299-RM-M051215-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051215-04Size:100 mg
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CAS Number
943-80-6
Synonyms
(S) -2-amino-3- (4-aminophenyl) propanoic acid
Molecular Formula
C9H12N2O2
Molecular Weight
180.21
Target Alternative Name
Melphalan
Product Name Synonym
(S) -2-amino-3- (4-aminophenyl) propanoic acid

Chemical Information

4-Aminophenylalanine

4-amino-L-phenylalanine is the L-enantiomer of 4-aminophenylalanine. It is an enantiomer of a 4-amino-D-phenylalanine. It is a tautomer of a 4-amino-L-phenylalanine zwitterion.

CAS Number943-80-6
PubChem CID151001
IUPAC Name(2S)-2-amino-3-(4-aminophenyl)propanoic acid
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP-2.2
Topological Polar Surface Area89.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)N
InChI
InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
InChIKey
CMUHFUGDYMFHEI-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminophenylalanine
CAS: 943-80-6
CID: 151001
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area89.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes