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CAS No.: | 103733-65-9 |
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Name: | D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3R)-;Z-D-[3R]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;D-[3R]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; |
EINECS: | 266-580-4 |
Density: | 1.225 g/cm3 |
Melting Point: | 320-323 °C (decomp) |
Boiling Point: | 372 ºC at 760 mmHg |
Flash Point: | 178.8 ºC |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 49.33000 |
LogP: | 1.11430 |
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The (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, with the CAS registry number 103733-65-9, is also known as D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid. It belongs to the product categories of Amino Acids; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives; a-Amino. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.20. What's more, its systematic name is (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Its storage temperature is 2-8°C. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.
Physical properties of (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 47.88 cm3; (11)Molar Volume: 144.5 cm3; (12)Polarizability: 18.98×10-24cm3; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.225 g/cm3; (15)Flash Point: 178.8 °C; (16)Enthalpy of Vaporization: 65.31 kJ/mol; (17)Boiling Point: 372 °C at 760 mmHg; (18)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 contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]2NCc1ccccc1C2
(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)/t9-/m1/s1
(3)InChIKey: BWKMGYQJPOAASG-SECBINFHSA-N