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553-27-5

553-27-5 structural image
Product Name: N,N-BIS(2-CHLOROETHYL)ANILINE
Formula: C10H13Cl2N
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COMPUTED DESCRIPTORS

Molecular Weight 218.12 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 217.0425048 g/mol
Monoisotopic Mass 217.0425048 g/mol
Topological Polar Surface Area 3.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 118
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aniline Mustard is an alkylating mustard with antineoplastic activity. Aniline mustard forms covalent linkages with nucleophilic centers, resulting in depurination, base miscoding and strand scission, and crosslinking of DNA strands, all of which contribute to its cytotoxicity. (NCI04)