1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (1S)- supplier

Name
(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
EINECS
CAS No. 151004-92-1
Article Data5
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₂
Boiling Point 370.7 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 178 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (S)-;(S)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylicacid;(1S)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid;(S)-1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid;
PSA 49.33000
LogP 1.28680

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (1S)- Specification

The 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (1S)-, with the CAS registry number 151004-92-1, is also known as (S)-1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its IUPAC name is (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Physical properties of 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (1S)- are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.97; (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: 1.576; (14)Molar Refractivity: 47.88 cm³; (15)Molar Volume: 144.5 cm³; (16)Polarizability: 18.98×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 178 °C; (20)Enthalpy of Vaporization: 65.16 kJ/mol; (21)Boiling Point: 370.7 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNC(C2=CC=CC=C21)C(=O)O
(2)Isomeric SMILES: C1CN[C@@H](C2=CC=CC=C21)C(=O)O
(3)InChI: InChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
(4)InChIKey: OXFGRWIKQDSSLY-VIFPVBQESA-N

Product Name

(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (1S)- Specification

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