-
Name
3-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
- EINECS
- CAS No. 624734-27-6
- Article Data11
- CAS DataBase
- Density 1.045 g/cm3
- Solubility
- Melting Point
- Formula C9H12N2
- Boiling Point 266.2 °C at 760 mmHg
- Molecular Weight 202.179
- Flash Point 114.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;1,6-Naphthyridine, 5,6,7,8-tetrahydro-3-methyl-;
- PSA 24.92000
- LogP 1.36450
3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine Specification
The systematic name of 3-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine is 3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine. With the CAS registry number 624734-27-6, it is also named as 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine. In addition, its molecular formula is C9H12N2 and molecular weight is 148.205.
The other characteristics of 3-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine can be summarized as: (1)ACD/LogP: 0.64; (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): 5; (7)H bond acceptors: 2; (8)H bond donors: 1; (9)Freely Rotating Bonds: 0; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 44.691 cm3; (13)Molar Volume: 141.795 cm3; (14)Polarizability: 17.717×10-24cm3; (15)Surface Tension: 40.68 dyne/cm; (16)Density: 1.045 g/cm3; (17)Flash Point: 114.806 °C; (18)Enthalpy of Vaporization: 50.419 kJ/mol; (19)Boiling Point: 266.22 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc2CNCCc2nc1
(2)InChI:InChI=1/C9H12N2/c1-7-4-8-6-10-3-2-9(8)11-5-7/h4-5,10H,2-3,6H2,1H3
(3)InChIKey:LFTZMPMTTQWRLY-UHFFFAOYAQ
(4)Std. InChI:InChI=1S/C9H12N2/c1-7-4-8-6-10-3-2-9(8)11-5-7/h4-5,10H,2-3,6H2,1H3
(5)Std. InChIKey:LFTZMPMTTQWRLY-UHFFFAOYSA-N
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