Basic information
- Name:
Quinoline,1,2,3,4-tetrahydro-4-methyl-
- Superlist Name:
- 4-Methyl-1,2,3,4-tetrahydroquinoline
- CAS No.:
19343-78-3
- Molecular Structure:
- Formula:
- C10H13N
- Molecular Weight:
- 147.22
- Deleted CAS:
- 74459-14-6
- Synonyms:
- Lepidine,1,2,3,4-tetrahydro- (6CI,7CI,8CI);1,2,3,4-Tetrahydro-4-methylquinoline;1,2,3,4-Tetrahydrolepidine;4-Methyl-1,2,3,4-tetrahydroquinoline;
- EINECS:
- 242-977-8
- Density:
- 0.966 g/cm3
- Boiling Point:
- 232.6 °C at 760 mmHg
- Flash Point:
- 94.9 °C
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Specification
The Quinoline,1,2,3,4-tetrahydro-4-methyl-, with the CAS registry number 19343-78-3, is also known as 1,2,3,4-Tetrahydrolepidine. Its EINECS registry number is 242-977-8. This chemical's molecular formula is C10H13N and molecular weight is 147.22. What's more, its systematic name and its IUPAC name are the same which is called 4-Methyl-1,2,3,4-tetrahydroquinoline.
Physical properties about Quinoline,1,2,3,4-tetrahydro-4-methyl-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 54; (6)ACD/BCF (pH 7.4): 76.22; (7)ACD/KOC (pH 5.5): 547.62; (8)ACD/KOC (pH 7.4): 772.97; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 46.48 cm3; (15)Molar Volume: 152.2 cm3; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 94.9 °C; (19)Enthalpy of Vaporization: 46.93 kJ/mol; (20)Boiling Point: 232.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0585 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)C(CCN2)C
(2) InChI: InChI=1/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
(3) InChIKey: OXNZWCYNCDWCJA-UHFFFAOYAL