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1465-26-5 | Phenylalanine, 4-[bis(2-chloroethyl)amino]-, hydrochloride (1:1)
CAS No: 1465-26-5 Catalog No: AG001E33 MDL No:
Product Description
Catalog Number:
AG001E33
Chemical Name:
Phenylalanine, 4-[bis(2-chloroethyl)amino]-, hydrochloride (1:1)
CAS Number:
1465-26-5
Molecular Formula:
C13H19Cl3N2O2
Molecular Weight:
341.6612
IUPAC Name:
2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid;hydrochloride
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
InChI Key:
OUUYBRCCFUEMLH-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl.Cl
NSC Number:
14210
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.657g/mol
Monoisotopic Mass:
340.051g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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