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Melphalan EP Impurity A

CAT: 1299-RM-M051201-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051201-02Size:25 mg
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CAS Number
72143-20-5
Synonyms
(S) -2-amino-3- (4- (bis (2-hydroxyethyl) amino) phenyl) propanoic acid
Molecular Formula
C13H20N2O4
Molecular Weight
268.31
Target Alternative Name
Melphalan
Product Name Synonym
(S) -2-amino-3- (4- (bis (2-hydroxyethyl) amino) phenyl) propanoic acid

Chemical Information

4-bis(2-hydroxyethyl)amino-L-phenylalanine

Dihydroxymelphalan is a phenylalanine derivative.

CAS Number72143-20-5
PubChem CID155704
IUPAC Name(2S)-2-amino-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propanoic acid
Molecular FormulaC13H20N2O4
Molecular Weight268.31
XLogP-3.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity261
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCO)CCO
InChI
InChI=1S/C13H20N2O4/c14-12(13(18)19)9-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,12,16-17H,5-9,14H2,(H,18,19)/t12-/m0/s1
InChIKey
WHGUXSYETMNGJA-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 4-bis(2-hydroxyethyl)amino-L-phenylalanine
CAS: 72143-20-5
CID: 155704
Formula: C13H20N2O4
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
XLogP3-3.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass268.14230712
Monoisotopic Mass268.14230712
Topological Polar Surface Area107 Ų
Heavy Atom Count19
Formal Charge0
Complexity261
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

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Alternative Products

CatalogName
AR-M01318-01Melphalan EP Impurity A (Dihydroxy Melphalan)
AR-M01333-01Melphalan Impurity 12
AR-M04168-01Melphalan Impurity 19
AR-M04169-01Melphalan Impurity 20
AR-M01309-01Melphalan Impurity 4
AR-M01329-01Melphalan Impurity 8
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AR-M01339-01Melphalan Impurity 17
AR-M01320-01Melphalan Impurity 5
AR-M01321-01Melphalan Impurity 6

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