chempirical

Melphalan hydrochloride

C13H19Cl3N2O2CAS 3223-07-2341.66 g/mol

Open in Covalent MOL file
HClH2NNClClOHO
Alkyl halideCarboxylic acidPrimary amineTertiary amine

Properties

Molecular formula
C13H19Cl3N2O2
Molar mass
341.66 g/mol
Exact mass
340.0512 Da
Melting point
175–178 °C
logP
2.35Crippen estimate
Polar surface area
66.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3223-07-2
SMILES
Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
InChIKey
OUUYBRCCFUEMLH-YDALLXLXSA-N
InChI
InChI=1S/C13H18Cl2N2O2.ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);1H/t12-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, hydrochloride (1:1)
  • Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-, monohydrochloride, L-
  • L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, monohydrochloride
  • 4-Bis(2-chloroethyl)amino-L-phenylalanine hydrochloride
  • Phelinun

Work with Melphalan hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tyrosine hydrochloride16870-43-263 % similar L-Phenylalanine, 4-amino-, hydrochloride (1:1)62040-55-561 % similar Px 478685898-44-661 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-560 % similar 4-Bromophenylalanine14091-15-757 % similar 4-Chloro-L-phenylalanine14173-39-857 % similar 4-Chloro-dl-phenylalanine7424-00-257 % similar Alanine, 3-(P-acetylphenyl)-, hydrochloride, L-20299-31-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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