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1-Isoquinolinecarboxylicacid, decahydro-

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Name

1-Isoquinolinecarboxylicacid, decahydro-

EINECS N/A
CAS No. 169390-26-5 Density 1.099 g/cm3
PSA 49.33000 LogP 1.56810
Solubility N/A Melting Point N/A
Formula C10H17NO2 Boiling Point 333.4 °C at 760 mmHg
Molecular Weight 183.25 Flash Point 155.4 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 169390-26-5 (DECAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

Decahydro-isoquinoline-1-carboxylic acid;

 

1-Isoquinolinecarboxylicacid, decahydro- 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

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