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2018-90-8

Basic Information
CAS No.: 2018-90-8
Name: 2-Naphthalenemethanamine
Molecular Structure:
Molecular Structure of 2018-90-8 (2-Naphthalenemethanamine)
Formula: C11H11N
Molecular Weight: 157.2117
Synonyms: 2-Naphthalenemethylamine(6CI,7CI,8CI);2-(Aminomethyl)naphthalene;2-Naphthylmethylamine;Naphthalen-2-ylmethanamine;[(Naphthalen-2-yl)methyl]amine;b-Naphthalenemethylamine;b-Naphthylmethylamine;
EINECS:
Density: 1.095 g/cm3
Melting Point: 59.5°C
Boiling Point: 301.5 °C at 760 mmHg
Flash Point: 148.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 26.02000
LogP: 2.99880
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Specification

The Naphthalen-2-methylamine, with the CAS registry number 2018-90-8, is also known as 2-Naphthalenemethanamine. This chemical's molecular formula is C11H11N and molecular weight is 157.21. Its IUPAC name is called naphthalen-2-ylmethanamine.

Physical properties of Naphthalen-2-methylamine: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.65; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 52.54 cm3; (14)Molar Volume: 143.5 cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.095 g/cm3; (17)Flash Point: 148.3 °C; (18)Enthalpy of Vaporization: 54.17 kJ/mol; (19)Boiling Point: 301.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00105 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)CN
(2)InChI: InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8,12H2
(3)InChIKey: XBCAHQUVHHVHHL-UHFFFAOYSA-N