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

Name
6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
EINECS
CAS No. 91523-50-1
Article Data7
CAS DataBase
Density 1.351g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₃
Boiling Point 458.1°Cat760mmHg
Molecular Weight 193.202
Flash Point 230.9°C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid;
PSA 69.56000
LogP 0.99240

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

The 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid with cas registry number of 91523-50-1, whose systematic name is 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid. And its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -2.71; (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)Enthalpy of Vaporization: 75.7 kJ/mol; (19)Vapour Pressure: 3.46E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)C2c1c(cc(O)cc1)CCN2;
(2)InChI:InChI=1/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14);
(3)InChIKey:WQTOOVAQGWLHKC-UHFFFAOYAD;
(4)Std. InChI:InChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14);
(5)Std. InChIKey:WQTOOVAQGWLHKC-UHFFFAOYSA-N

Product Name

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

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

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