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66863-43-2

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Basic Information
CAS No.: 66863-43-2
Name: BOC-L-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID
Article Data: 26
Molecular Structure:
Molecular Structure of 66863-43-2 (BOC-L-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID)
Formula: C17H20 N2 O4
Molecular Weight: 316.357
Synonyms: 2H-Pyrido[3,4-b]indole-2,3-dicarboxylicacid, 1,3,4,9-tetrahydro-, 2-(1,1-dimethylethyl) ester, (S)-
Density: 1.322±0.06 g/cm3(Predicted)
Melting Point: 286-291oC
Boiling Point: 525.6oC at 760 mmHg
Flash Point: 271.7oC
Appearance: white to light cream crystalline powder
Hazard Symbols: Xi
Safety: 691288
PSA: 82.63000
LogP: 2.85220
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Chemistry

Product Name: N-Boc-L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid (CAS NO.66863-43-2)

Molecular Formula: C17H20N2O4
Molecular Weight: 316.35g/mol
Mol File: 66863-43-2.mol
Appearance: white to light cream crystalline powder
Melting Point: 286-291 °C
Boiling point: 525.6 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 271.7 °C
Density: 1.322 g/cm3
Index of Refraction: 1.63  Molar Refractivity: 85.19 cm3 
Molar Volume: 239.1 cm3 
Surface Tension: 60.6 dyne/cm
Enthalpy of Vaporization: 84.19 kJ/mol
Vapour Pressure: 7.12E-12 mmHg at 25°C
XLogP3-AA: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of N-Boc-L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid (CAS NO.66863-43-2):
  IUPAC Name: (3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
  Canonical SMILES: CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2
  Isomeric SMILES: CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2
  InChI: InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m0/s1 
  InChIKey: FHEPEWKHTOVVAT-AWEZNQCLSA-N
Product Categories: Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives

Safety Profile

Safety Information of N-Boc-L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid (CAS NO.66863-43-2):
Hazard Codes: XiIrritant 
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
HazardClass: IRRITANT

Specification

 N-Boc-L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid , its CAS NO. is 66863-43-2, the synonyms are (S)-2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid ; N-alpha-tert-Butyloxycarbonyl-1,2,3,4-tetrahydronorharman-L-3-carboxylic acid .