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Basic Information
CAS No.: 698-49-7
Name: 2-Hydroxy-4-amino-2,4,6-cycloheptatriene-1-one
Molecular Structure:
Molecular Structure of 698-49-7 (2-Hydroxy-4-amino-2,4,6-cycloheptatriene-1-one)
Formula: C7H7NO2
Molecular Weight: 137.138
Synonyms: 4-Aminotropolone;4-Aminotropolon;4-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one;2,4,6-CYCLOHEPTATRIEN-1-ONE,4-AMINO-2-HYDROXY;
Density: 1.356g/cm3
Melting Point: 187.5°C
Boiling Point: 262.3°Cat760mmHg
Flash Point: 112.5°C
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 63.32000
LogP: 0.91580
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Chemistry

Product Name: 4-Aminotropolone (CAS NO.698-49-7)

IUPAC: 6-Amino-2-hydroxycyclohepta-2,4,6-trien-1-one
Molecular Formula: C7H7NO2
Molecular Weight: 137.15g/mol
Mol File: 698-49-7.mol
Boiling point: 262.3°C at 760mmHg
Storage Temperature:
Flash Point: 112.5°C
Density: 1.356g/cm3
Surface Tension:  65.8 dyne/cm 
Enthalpy of Vaporization: 58.08 kJ/mol
Vapour Pressure: 58.08 kJ/mol
XLogP3-AA: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 265mg/kg (265mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Chemical and Pharmaceutical Bulletin. Vol. 20, Pg. 60, 1972.
mouse LD50 intravenous 177mg/kg (177mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.
mouse LD50 subcutaneous 400mg/kg (400mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Chemical and Pharmaceutical Bulletin. Vol. 20, Pg. 60, 1972.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-Aminotropolone ,its CAS NO. is 698-49-7, the synonyms are 4-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one ; BRN 2079526 ; 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- .