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671-16-9

671-16-9 structural image
Product Name: Isopropyl-α-[2-methylhydrazino]-p-toluamide
Formula: C12H19N3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 223 °C
Solubility 1420 mg/L
Vapor Pressure 8.4X10-7 mm Hg @ 25 °C /Estimated/
LogP 0.06
Henry's Law Constant Henry's Law constant = 8.9X10-15 atm-cu m/mole @ 25 °C /Estimated/
Stability/Shelf Life Procarbazine hydrochloride is unstable in aqueous solution. /Procarbazine hydrochloride/
Dissociation Constants pKa = 6.6
Kovats Retention Index 1990 1975 2000 1990
Other Experimental Properties MW: 257.77. Crystals from methanol, mp 223-226 °C. /Hydrochloride/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H351:Carcinogenicity
H361:Reproductive toxicity
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 221.30 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 221.152812238 g/mol
Monoisotopic Mass 221.152812238 g/mol
Topological Polar Surface Area 53.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 210
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

Procarbazine is a benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands. It has a role as an antineoplastic agent. It is a member of hydrazines and a member of benzamides. It is a conjugate base of a procarbazine(1+).

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