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63449-91-2

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Basic Information
CAS No.: 63449-91-2
Name: N-(3-thienylmethyl)pyridin-2-amine
Molecular Structure:
Molecular Structure of 63449-91-2 (N-(3-thienylmethyl)pyridin-2-amine)
Formula: C10H10N2S
Molecular Weight: 190.2648
Synonyms: N-(thiophen-3-ylmethyl)pyridin-2-amine;2-pyridinamine, N-(3-thienylmethyl)-;N-(3-Thienylmethyl)pyridin-2-amine;
EINECS: 264-162-6
Density: 1.249 g/cm3
Boiling Point: 330.5 °C at 760 mmHg
Flash Point: 153.7 °C
PSA: 53.16000
LogP: 2.82820
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Specification

The 2-Pyridinamine,N-(3-thienylmethyl)-, with the CAS registry number 63449-91-2 and EINECS registry number 264-162-6, has the systematic name and IUPAC name of N-(thiophen-3-ylmethyl)pyridin-2-amine. And the molecular formula of this chemical is C10H10N2S.

The physical properties of 2-Pyridinamine,N-(3-thienylmethyl)- are as following: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 6.53; (6)ACD/BCF (pH 7.4): 30.42; (7)ACD/KOC (pH 5.5): 84.91; (8)ACD/KOC (pH 7.4): 395.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 56.82 cm3; (15)Molar Volume: 152.2 cm3; (16)Polarizability: 22.52×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 57.31 kJ/mol; (21)Boiling Point: 330.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(NCc1ccsc1)cccc2
(2)InChI: InChI=1/C10H10N2S/c1-2-5-11-10(3-1)12-7-9-4-6-13-8-9/h1-6,8H,7H2,(H,11,12)
(3)InChIKey: FFWIYCMLEXESOW-UHFFFAOYAL