CAS No.123593-99-7,5-methyl-1,2,3,4-tetrahydroisoquinoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123593-99-7
Name:	5-methyl-1,2,3,4-tetrahydroisoquinoline

Formula:	C₁₀H₁₃N
Molecular Weight:	147.22
Synonyms:	5-methyl-1,2,3,4-tetrahydroisoquinoline;
Density:	0.991 g/cm³
Boiling Point:	252.315 °C at 760 mmHg
Flash Point:	109.981 °C
PSA:	12.03000
LogP:	1.96950

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Specification

The Isoquinoline,1,2,3,4-tetrahydro-5-methyl-, with the CAS registry number 123593-99-7, has the systematic name of 5-methyl-1,2,3,4-tetrahydroisoquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₃N.

The characteristics of Isoquinoline,1,2,3,4-tetrahydro-5-methyl- are as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.437; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 46.6 cm³; (13)Molar Volume: 148.571 cm³; (14)Polarizability: 18.474×10^-24cm³; (15)Surface Tension: 36.012 dyne/cm; (16)Density: 0.991 g/cm³; (17)Flash Point: 109.981 °C; (18)Enthalpy of Vaporization: 48.966 kJ/mol; (19)Boiling Point: 252.315 °C at 760 mmHg; (20)Vapour Pressure: 0.019 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cccc2c1CCNC2
(2)InChI: InChI=1/C10H13N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-4,11H,5-7H2,1H3
(3)InChIKey: QZGXYVCFHDTRMW-UHFFFAOYAT