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2635-98-5

2635-98-5 structural image
Product Name: 5-AMINO-O-CRESOL
Formula: C7H9NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-amino-6-methylphenol is a brown powder. (NTP, 1992)
Color/Form Plates from water
Melting Point 320 to 347 °F (sublimes) (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Vapor Pressure 0.00026 [mmHg]
LogP log Kow = 0.79 /Estimated/
Henry's Law Constant Henry's Law constant: 2.19X10-10 atm-cu m/mole @ 25 °C /Estimated/
Stability/Shelf Life Stable
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxide/.
Other Experimental Properties Hydroxyl radical reaction rate constant: 2.00X10-10 cu cm/molecule-sec @ 25 °C /Estimated/
Chemical Classes Nitrogen Compounds -> Amino Phenols

COMPUTED DESCRIPTORS

Molecular Weight 123.15 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 123.068413911 g/mol
Monoisotopic Mass 123.068413911 g/mol
Topological Polar Surface Area 46.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 94.9
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

3-amino-6-methylphenol is a brown powder. (NTP, 1992)