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Melphalan Impurity 17

CAT: 1299-RM-M051217-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051217-03Size:50 mg
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CAS Number
87507-73-1
Synonyms
DL-Phenylalanine, 4-[bis (2-chloroethyl) amino]-, 1-methylethyl ester, monohydrochloride; Sarcolysine isopropyl ester; isopropyl 2-amino-3- (4- (bis (2-chloroethyl) amino) phenyl) propanoate
Molecular Formula
C16H24Cl2N2O2
Molecular Weight
347.28
Target Alternative Name
Melphalan
Product Name Synonym
DL-Phenylalanine,4-[bis (2-chloroethyl) amino]-,1-methylethyl ester, monohydrochloride; Sarcolysine isopropyl ester; isopropyl 2-amino-3- (4- (bis (2-chloroethyl) amino) phenyl) propanoate

Chemical Information

Propan-2-yl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
CAS Number87507-73-1
PubChem CID124360
IUPAC Namepropan-2-yl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.3
XLogP2.9
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity315
SMILES
CC(C)OC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N
InChI
InChI=1S/C16H24Cl2N2O2/c1-12(2)22-16(21)15(19)11-13-3-5-14(6-4-13)20(9-7-17)10-8-18/h3-6,12,15H,7-11,19H2,1-2H3
InChIKey
UJPJAOZMRHYCGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propan-2-yl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
CAS: 87507-73-1
CID: 124360
Formula: C16H24Cl2N2O2
MW: 347.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass346.1214834
Monoisotopic Mass346.1214834
Topological Polar Surface Area55.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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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-M01320-01Melphalan Impurity 5
AR-M01321-01Melphalan Impurity 6

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