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Melphalan EP Impurity B

CAT: 1299-RM-M051202-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051202-02Size:25 mg
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CAS Number
1270153-04-2
Synonyms
(S) -2-amino-3- (4-morpholinophenyl) propanoic acid
Molecular Formula
C13H18N2O3
Molecular Weight
250.29
Target Alternative Name
Melphalan
Product Name Synonym
(S) -2-amino-3- (4-morpholinophenyl) propanoic acid

Chemical Information

(2S)-2-Amino-3-(4-morpholin-4-ylphenyl)propanoic Acid
CAS Number1270153-04-2
PubChem CID69886113
IUPAC Name(2S)-2-amino-3-(4-morpholin-4-ylphenyl)propanoic acid
Molecular FormulaC13H18N2O3
Molecular Weight250.29
XLogP-1.4
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity271
SMILES
C1COCCN1C2=CC=C(C=C2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C13H18N2O3/c14-12(13(16)17)9-10-1-3-11(4-2-10)15-5-7-18-8-6-15/h1-4,12H,5-9,14H2,(H,16,17)/t12-/m0/s1
InChIKey
BKFTZFXJLYAYLN-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-Amino-3-(4-morpholin-4-ylphenyl)propanoic Acid
CAS: 1270153-04-2
CID: 69886113
Formula: C13H18N2O3
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass250.13174244
Monoisotopic Mass250.13174244
Topological Polar Surface Area75.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
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

Related Products

CatalogName
RM-M051201-01Melphalan EP Impurity A
RM-M051211-01Melphalan EP Impurity K
RM-M051210-01Melphalan EP Impurity J
RM-M051206-01Melphalan EP Impurity F
RM-M051205-01Melphalan EP Impurity E
RM-M051207-01Melphalan EP Impurity G
RM-M051209-01Melphalan EP Impurity I
RM-M051213-01Rac-Melphalan EP Impurity A
RM-M051204-01Melphalan EP Impurity D
RM-M051203-01Melphalan EP Impurity C

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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
AR-M01330-01Melphalan Impurity 9
AR-M01339-01Melphalan Impurity 17
AR-M01320-01Melphalan Impurity 5
AR-M01321-01Melphalan Impurity 6

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