Boc-(S)-2-tetrahydroisoquinoline acetic acid

Base Information

• Chemical Name: Boc-(S)-2-tetrahydroisoquinoline acetic acid
• CAS No.: 270062-98-1
• Molecular Formula: C₁₆H₂₁NO₄
• Molecular Weight: 291.347
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80375844
• Wikidata: Q72450787
• Mol file: 270062-98-1.mol

Synonyms:270062-98-1;Boc-(S)-2-tetrahydroisoquinoline acetic acid;(S)-2-(2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid;Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid;2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid;Boc-(S)-1,2,3,4-tetrahydro-isoquinoline-3-acetic acid;(s)-2-(2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)aceticacid;[(3S)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid;MFCD01861031;Boc-Tic-(C#CH2)OH;SCHEMBL4595926;DTXSID80375844;ZQBQAMXKTHNSQM-ZDUSSCGKSA-N;AKOS015948769;AC-22266;PS-12036;CS-0154767;D78490;EN300-6472388;J-016647;Z1505691014;Boc-(S)-2-tetrahydroisoquinoline acetic acid, AldrichCPR;2-[(3S)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid

Chemical Property of Boc-(S)-2-tetrahydroisoquinoline acetic acid

Chemical Property:

• Vapor Pressure: 4.73E-09mmHg at 25°C
• Boiling Point: 454.5°Cat760mmHg
• PKA: 4.44±0.10(Predicted)
• Flash Point: 228.7°C
• PSA: 66.84000
• Density: 1.180
• LogP: 2.76100
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.14705815
• Heavy Atom Count: 21
• Complexity: 402

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(S)-1,2,3,4-tetrahydro-isoquinoline-3-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 25-50
• Safety Statements: 45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)O