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| CAS No.: | 169390-26-5 |
|---|---|
| Name: | DECAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H17NO2 |
| Molecular Weight: | 183.25 |
| Synonyms: | Decahydro-isoquinoline-1-carboxylic acid; |
| Density: | 1.099 g/cm3 |
| Boiling Point: | 333.4 °C at 760 mmHg |
| Flash Point: | 155.4 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 49.33000 |
| LogP: | 1.56810 |
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Specification
The 1-Isoquinolinecarboxylicacid, decahydro-, with the CAS registry number 169390-26-5, is also known as Decahydro-isoquinoline-1-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H17NO2 and molecular weight is 183.2475. What's more, its systematic name is called Decahydroisoquinoline-1-carboxylic acid.
Physical properties about 1-Isoquinolinecarboxylicacid, decahydro- are: (1)ACD/LogP: 1.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 49.01 cm3; (15)Molar Volume: 166.7 cm3; (16)Polarizability: 19.43×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 155.4 °C; (20)Enthalpy of Vaporization: 63.34 kJ/mol; (21)Boiling Point: 333.4 °C at 760 mmHg; (22)Vapour Pressure: 2.63E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2NCCC1CCCCC12
(2) InChI: InChI=1/C10H17NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h7-9,11H,1-6H2,(H,12,13)
(3) InChIKey: VVWUWTAURHNLGY-UHFFFAOYAI