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| CAS No.: | 216966-37-9 |
|---|---|
| Name: | 5,6,7,8-TETRAHYDRO-6-METHYL-1,6-NAPHTHYRIDIN-3-AMINE |
| Molecular Structure: | |
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| Formula: | C9H13N3 |
| Molecular Weight: | 163.222 |
| Synonyms: | 5,6,7,8-TETRAHYDRO-6-METHYL-1,6-NAPHTHYRIDIN-3-AMINE;3-Amino-5,6,7,8-tetrahydro-6-methyl-1,6-naphthyridine;6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine |
| Density: | 1.143 g/cm3 |
| Boiling Point: | 324.056 °C at 760 mmHg |
| Flash Point: | 149.784 °C |
| PSA: | 42.15000 |
| LogP: | 1.17080 |
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Specification
The 1,6-Naphthyridin-3-amine,5,6,7,8-tetrahydro-6-methyl-, with CAS registry number 216966-37-9, has the systematic name of 6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine. Besides this, it is also called 5,6,7,8-Tetrahydro-6-methyl-1,6-naphthyridin-3-amine. And the chemical formula of this chemical is 1,6-Naphthyridin-3-amine,5,6,7,8-tetrahydro-6-methyl-.
Physical properties of 1,6-Naphthyridin-3-amine,5,6,7,8-tetrahydro-6-methyl-: (1)ACD/LogP: -0.85; (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): 4; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.15 Å2; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 49.029 cm3; (13)Molar Volume: 142.821 cm3; (14)Polarizability: 19.437×10-24cm3; (15)Surface Tension: 51.401 dyne/cm; (16)Density: 1.143 g/cm3; (17)Flash Point: 149.784 °C; (18)Enthalpy of Vaporization: 56.605 kJ/mol; (19)Boiling Point: 324.056 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCc2c(cc(cn2)N)C1
(2)InChI: InChI=1/C9H13N3/c1-12-3-2-9-7(6-12)4-8(10)5-11-9/h4-5H,2-3,6,10H2,1H3
(3)InChIKey: YWVJXRLEURDFAJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H13N3/c1-12-3-2-9-7(6-12)4-8(10)5-11-9/h4-5H,2-3,6,10H2,1H3
(5)Std. InChIKey: YWVJXRLEURDFAJ-UHFFFAOYSA-N