(1S)-3,4-Dihydro-1H-isoquinoline-1-carboxylate supplier

Name
DL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXYLIC ACID HYDROCHLORIDE
EINECS
CAS No. 92932-74-6
Density 1.225 g/cm³
Solubility
Melting Point 214.5 °C
Formula C₁₀H₁₁NO₂
Boiling Point 370.7 °C at 760 mmHg
Molecular Weight 177.20
Flash Point 178 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1S)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid;1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)-;(S)-1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid;(S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;ZINC00135448;AC1OF9A1;
PSA 49.33000
LogP 2.08880

(1S)-3,4-Dihydro-1H-isoquinoline-1-carboxylate Specification

The (1S)-3,4-Dihydro-1H-isoquinoline-1-carboxylate with CAS registry number of 92932-74-6 is also known as 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)-. The IUPAC name is (1S)-1,2,3,4-Tetrahydroisoquinolin-2-ium-1-carboxylate. In addition, the formula is C₁₀H₁₁NO₂ and the molecular weight is 177.20.

Physical properties about (1S)-3,4-Dihydro-1H-isoquinoline-1-carboxylate 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)Index of Refraction: 1.576; (13)Molar Refractivity: 47.88 cm³; (14)Molar Volume: 144.5 cm³; (15)Surface Tension: 48.2 dyne/cm; (16)Density: 1.225 g/cm³; (17)Flash Point: 178 °C; (18)Enthalpy of Vaporization: 65.16 kJ/mol; (19)Boiling Point: 370.7 °C at 760 mmHg; (20)Vapour Pressure: 3.77E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)[C@@H]2c1c(cccc1)CCN2
2. InChI: InChI=1/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
3. InChIKey: OXFGRWIKQDSSLY-VIFPVBQEBA
4. Std. 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
5. Std. InChIKey: OXFGRWIKQDSSLY-VIFPVBQESA-N

Product Name

DL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXYLIC ACID HYDROCHLORIDE

(1S)-3,4-Dihydro-1H-isoquinoline-1-carboxylate Specification

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