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51761-16-1

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Basic Information
CAS No.: 51761-16-1
Name: 7-amino-2-naphthol hydrochloride
Molecular Structure:
Molecular Structure of 51761-16-1 (7-amino-2-naphthol hydrochloride)
Formula: C10H10ClNO
Molecular Weight: 195.6455
Synonyms: 7-Amino-2-naphthol hydrochloride (1:1);
EINECS: 257-388-1
Boiling Point: 405.3 °C at 760 mmHg
Flash Point: 198.9 °C
PSA: 46.25000
LogP: 3.51080
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Specification

The 2-Naphthalenol,7-amino-, hydrochloride (1:1), with the CAS registry number of 51761-16-1, is also known as 7-Amino-2-naphthol hydrochloride (1:1). Its EINECS registry number is 257-388-1. Its molecular formula is C10H10ClNO and molecular weight is 195.6455. What's more, its IUPAC name is (8-Hydroxynaphthalen-2-yl)azanium chloride.

Physical properties about the 2-Naphthalenol,7-amino-, hydrochloride (1:1) are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.25 Å2; (7)Flash Point: 198.9 °C; (8)Enthalpy of Vaporization: 68.25 kJ/mol; (9)Boiling Point: 405.3 °C at 760 mmHg; (10)Vapour Pressure: 3.77E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Nc1cc2cc(O)ccc2cc1
(2) InChI: InChI=1/C10H9NO.ClH/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1-6,12H,11H2;1H
(3) InChIKey: VDFLTUHMDULKQC-UHFFFAOYAD

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04023,