3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy- supplier

Name
7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
EINECS 604-604-1
CAS No. 35186-98-2
Article Data4
CAS DataBase
Density 1.351g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₃
Boiling Point 456.3 °C at 760 mmHg
Molecular Weight 193.2
Flash Point 229.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Carboxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline;7-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid;DL-1,2,3,4-Tetrahydro-7-hydroxyisoquinoline-3-carboxylic acid;DL-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
PSA 69.56000
LogP 0.81990

3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy- Specification

The 3-Isoquinolinecarboxylicacid, 1, 2, 3, 4-tetrahydro-7-hydroxy-, with the CAS registry number of 35186-98-2, is also known as 1, 2, 3, 4-Tetrahydro-7-hydroxy-3-isoquinolinecarboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₁NO₃ and molecular weight is 193.2. What's more, its IUPAC name is 7-Hydroxy-1, 2, 3, 4-tetrahydroisoquinoline-3-carboxylic acid.

Physical properties about 3-Isoquinolinecarboxylicacid, 1, 2, 3, 4-tetrahydro-7-hydroxy- are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -2.38; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 49.76 cm³; (15)Molar Volume: 142.9 cm³; (16)Polarizability: 19.72×10^-24 cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 229.8 °C; (20)Enthalpy of Vaporization: 75.47 kJ/mol; (21)Boiling Point: 456.3 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2NCc1cc(O)ccc1C2
(2) InChI: InChI=1/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
(3) InChIKey: HIKCRLDSCSWXML-UHFFFAOYAP

Product Name

7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID

3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy- Specification

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