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72299-68-4

Basic Information
CAS No.: 72299-68-4
Name: 1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YLAMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 72299-68-4 (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YLAMINE)
Formula: C9H12N2
Molecular Weight: 148.208
Synonyms: 7-Amino-1,2,3,4-tetrahydroisoquinoline;1,2,3,4-Tetrahydroisoquinolin-7-ylamine;
Density: 1.101 g/cm3
Boiling Point: 315.903 °C at 760 mmHg
Flash Point: 169.23 °C
PSA: 38.05000
LogP: 1.82450
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Specification

The CAS register number of 7-Amino-1,2,3,4-tetrahydroisoquinoline is 72299-68-4. It also can be called as 7-Isoquinolinamine,1,2,3,4-tetrahydro- and the IUPAC name about this chemical is 1,2,3,4-tetrahydroisoquinolin-7-amine. The molecular formula about this chemical is C9H12N2 and the molecular weight is 148.2. It belongs to the pharmacetical.

Physical properties about 7-Amino-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 0.40; (2)#H bond acceptors: 2; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 38.05Å2; (6)Index of Refraction: 1.6; (7)Molar Refractivity: 46.011 cm3; (8)Molar Volume: 134.576 cm3; (9)Polarizability: 18.24x10-24cm3; (10)Surface Tension: 46.882 dyne/cm; (11)Flash Point: 169.23 °C; (12)Enthalpy of Vaporization: 55.719 kJ/mol; (13)Boiling Point: 315.903 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccc2c(c1)CNCC2)N
(2)InChI: InChI=1/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2
(3)InChIKey: VMEDBFRQSKKEEQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2
(5)Std. InChIKey: VMEDBFRQSKKEEQ-UHFFFAOYSA-N