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1596-84-5

1596-84-5 structural image
Product Name: Daminozide
Formula: C6H12N2O3
Synonyms: 3-Amino-4-cyclohexylaminobenzoic acid ethyl ester;;Daminozide - CAS 1596-84-5 - Calbiochem;Succinic acid mono(2,2-dimethylhydrazide)
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Succinic acid 2,2-dimethylhydrazide appears as odorless white crystals or powder. (NTP, 1992)
Color/Form WHITE CRYSTALLINE SOLID
Odor Faint amine like odor
Melting Point 309 to 311 °F (NTP, 1992)
Solubility 1 to 10 mg/mL at 75 °F (NTP, 1992)
Vapor Pressure less than 0.0000750 mmHg at 68 °F (NTP, 1992)
LogP log Kow = -1.5 at pH 5,7, and 9 @ 21 °C
Henry's Law Constant Henry's Law constant= 4.2X10-10 atm-cu m/mole at 25 °C /Estimated/
Stability/Shelf Life Hydrolyzed by acids and alkalis on heating.
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
pH 3.8 (5% aq soln)
Dissociation Constants pKa = 4.68
Kovats Retention Index 1591.3
Other Experimental Properties Hydroxyl radical reaction rate constant: 1.2X10-11 cu cm/molec-sec at 25 °C /Estimated/
Chemical Classes Pesticides -> Plant Growth Regulators

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 160.17 g/mol
XLogP3 -3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 160.08479225 g/mol
Monoisotopic Mass 160.08479225 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 156
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

Succinic acid 2,2-dimethylhydrazide appears as odorless white crystals or powder. (NTP, 1992)

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