Basic information
- Name:
Ethanone,1-(3-amino-2-hydroxyphenyl)-, hydrochloride (1:1)
- Superlist Name:
- 3'-Amino-2'-hydroxyacetophenone hydrochloride
- CAS No.:
90005-55-3
- Molecular Structure:
- Formula:
- C8H9NO2.HCl
- Molecular Weight:
- 187.62
- Synonyms:
- Acetophenone,3'-amino-2'-hydroxy-, hydrochloride (7CI);Ethanone,1-(3-amino-2-hydroxyphenyl)-, hydrochloride (9CI);2-Acetyl-6-aminophenolhydrochloride;
- Melting Point:
- 156-160 °C
- Boiling Point:
- 287.2 °C at 760 mmHg
- Flash Point:
- 127.5 °C
- Appearance:
- light brown solid
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Specification
The Ethanone,1-(3-amino-2-hydroxyphenyl)-, hydrochloride (1:1), with CAS registry number 90005-55-3, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-(3-amino-2-hydroxyphenyl)ethanone hydrochloride (1:1). And the chemical formula of this chemical is C8H9NO2.HCl.
Physical properties of Ethanone,1-(3-amino-2-hydroxyphenyl)-, hydrochloride (1:1): (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.02; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 110.08; (8)ACD/KOC (pH 7.4): 111.1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Enthalpy of Vaporization: 54.74 kJ/mol; (14)Vapour Pressure: 0.00146 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(c1cccc(N)c1O)C
(2)InChI: InChI=1/C8H9NO2.ClH/c1-5(10)6-3-2-4-7(9)8(6)11;/h2-4,11H,9H2,1H3;1H
(3)InChIKey: BSWMUKIPTBQFPN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H9NO2.ClH/c1-5(10)6-3-2-4-7(9)8(6)11;/h2-4,11H,9H2,1H3;1H
(5)Std. InChIKey: BSWMUKIPTBQFPN-UHFFFAOYSA-N