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| CAS No.: | 42438-90-4 |
|---|---|
| Name: | L-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID |
| Article Data: | 70 |
| Molecular Structure: | |
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| Formula: | C12H12 N2 O2 |
| Molecular Weight: | 216.239 |
| Synonyms: | 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-, (S)-; (-)-(3S)-1,2,3,4-Tetrahydro-b-carboline-3-carboxylic acid;(S)-(-)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;(S)-1,2,3,4-Tetrahydro-3-carboxy-2-carboline;L-1,2,3,4-Tetrahydro-3-carboxy-2-carboline; L-3-Carboxy-1,2,3,4-tetrahydro-b-carboline; Lycoperodine-1 |
| Density: | 1.377g/cm3 |
| Melting Point: | 289oC (dec.)(lit.) |
| Boiling Point: | 485°C at 760 mmHg |
| Flash Point: | 247.1°C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38 |
| PSA: | 65.12000 |
| LogP: | 1.59560 |
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Chemistry
Molecular Structure of L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid (42438-90-4):
IUPAC Name: (3S)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Molecular Formula: C12H12N2O2
Molecular Weight: 216.23588 g/mol
XLogP3-AA: -1.2
H-Bond Donor: 3
H-Bond Acceptor: 3
Canonical SMILES: C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
Isomeric SMILES: C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O
InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
InChIKey: FSNCEEGOMTYXKY-JTQLQIEISA-N
Index of Refraction: 1.69
Molar Refractivity: 60.15 cm3
Molar Volume: 156.9 cm3
Surface Tension: 65.8 dyne/cm
Density: 1.377 g/cm3
Melting Point: 289 °C (dec.)(lit.)
Boiling Point: 485 °C at 760 mmHg
Flash Point: 247.1 °C
Enthalpy of Vaporization: 79.04 kJ/mol
Vapour Pressure: 3.22E-10 mmHg at 25 °C
Water Solubility: 3044 mg/L at 25 °C
Storage Temp.: 2-8 °C
Safety Profile
Safety Information of L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid (42438-90-4):
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
Specification
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid (42438-90-4) is also known as AL351-1 ; (3S)-2,3,4,9-Tetrahydro-1H-b-carboline-3-carboxylic acid ; (S)-(-)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid .