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195832-21-4

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Basic Information
CAS No.: 195832-21-4
Name: 3(S)-AMINOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
Molecular Structure:
Molecular Structure of 195832-21-4 (3(S)-AMINOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE)
Formula: C10H14N2
Molecular Weight: 162.23
Synonyms: 3-Isoquinolinemethanamine,1,2,3,4-tetrahydro-, (S)-;
Density: 1.033 g/cm3
Boiling Point: 294.8 °C at 760 mmHg
Flash Point: 153.7 °C
PSA: 38.05000
LogP: 1.68870
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Specification

This chemical is called (3S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanamine, and it can also be named as (S)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine. With the molecular formula of C10H14N2, its molecular weight is 162.23. The CAS registry number of this chemical is 195832-21-4.

Other characteristics of the (3S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanamine can be summarised as followings: (1)ACD/LogP: 0.57; (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: 38.05 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 50 cm3; (9)Molar Volume: 157 cm3; (10)Polarizability: 19.82×10-24cm3; (11)Surface Tension: 41.9 dyne/cm; (12)Density: 1.033 g/cm3; (13)Flash Point: 153.7 °C; (14)Enthalpy of Vaporization: 53.45 kJ/mol; (15)Boiling Point: 294.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00159 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc2c(c1)CC(NC2)CN
2.InChI: InChI=1/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2/t10-/m0/s1
3.InChIKey: QQDYNQIMTRERLH-JTQLQIEIBG