6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate supplier

Name
6-HYDROXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDRATE
EINECS
CAS No. 134388-87-7
Article Data13
CAS DataBase
Density 1.351 g/cm³
Solubility
Melting Point 256-260 °C
Formula C₁₀H₁₁NO₃
Boiling Point 456.3 °C at 760 mmHg
Molecular Weight 193.202
Flash Point 229.8 °C
Transport Information
Appearance
Safety 24/25-22
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid;1,2,3,4-Tetrahydro-6-hydroxyisoquinoline-3-carboxylic acid;6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
PSA 78.79000
LogP 0.75560

6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate Specification

The 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, with the CAS registry number 134388-87-7, is also known as 1,2,3,4-Tetrahydro-6-hydroxyisoquinoline-3-carboxylic acid. This chemical's molecular formula is C₁₀H₁₁NO₃ and molecular weight is 193.20. What's more, its systematic name is 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. When using it, you can't breathe dust and you should avoid contact with skin and eyes. Besides, it should be sealed and stored in containers which are placed in cool and dry places.

Physical properties of 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-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^-24cm³; (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)Canonical SMILES: C1C(NCC2=C1C=C(C=C2)O)C(=O)O
(2)InChI: InChI=1S/C10H11NO3/c12-8-2-1-6-5-11-9(10(13)14)4-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
(3)InChIKey: CRAGDYRHPWTZJL-UHFFFAOYSA-N

Product Name

6-HYDROXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDRATE

6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate Specification

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