1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid supplier

Name
H-DL-TIC-OH
EINECS 266-580-4
CAS No. 67123-97-1
Article Data37
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point 358 °C
Formula C₁₀H₁₁NO₂
Boiling Point 372.02 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 178.791 °C
Transport Information
Appearance White solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;3-Carboxy-1,2,3,4-tetrahydroisoquinoline;DL-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;DL-3-Carboxy-1,2,3,4-tetrahydroisoquinoline;NSC 14794;rac 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid;Tetrahydroisoquinoline-3-carboxylic acid;
PSA 49.33000
LogP 1.11430

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid Specification

The 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, with the CAS registry number 67123-97-1, is also known as 3-Carboxy-1,2,3,4-tetrahydroisoquinoline. Its EINECS number is 266-580-4. It belongs to the product categories of Quinoline&Isoquinoline; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its systematic name is 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid.

Physical properties of 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -1.65; (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: 178.8 °C; (20)Enthalpy of Vaporization: 65.31 kJ/mol; (21)Boiling Point: 372 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(NCC2=CC=CC=C21)C(=O)O
(2)InChI: InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
(3)InChIKey: BWKMGYQJPOAASG-UHFFFAOYSA-N

Product Name

H-DL-TIC-OH

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid Specification

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