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CAS No.: | 2241-98-7 |
---|---|
Name: | 2-NAPHTHALENEMETHYLAMINE HYDROCHLORIDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C11H12ClN |
Molecular Weight: | 193.676 |
Synonyms: | Naphthalen-2-yl-methylamine hydrochloride; |
Melting Point: | 268-270 °C |
Boiling Point: | 333.2 °C at 760 mmHg |
Flash Point: | 155.3 °C |
PSA: | 26.02000 |
LogP: | 3.80080 |
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The 2-Naphthalenemethanamine,hydrochloride (1:1), with the CAS registry number of 2241-98-7, is also known as Naphthalen-2-yl-methylamine hydrochloride. Its molecular formula is C11H12ClN and molecular weight is 193.67. What's more, its systematic name is 1-(Naphthalen-2-yl)methanamine hydrochloride (1:1).
Physical properties about the 2-Naphthalenemethanamine,hydrochloride (1:1) are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.65; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Flash Point: 155.3 °C; (13)Enthalpy of Vaporization: 58.75 kJ/mol; (14)Boiling Point: 333.2 °C at 760 mmHg; (15)Vapour Pressure: 9.96E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCc1ccc2ccccc2c1
(2) InChI: InChI=1/C11H11N.ClH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8,12H2;1H
(3) InChIKey: CNWUJWGKBBBOKY-UHFFFAOYAG