2-Boc-1,2,3,4-tetrahydroisoquinoline-5-carboxylic Acid - CAS 872001-50-8
Catalog: |
BB038330 |
Product Name: |
2-Boc-1,2,3,4-tetrahydroisoquinoline-5-carboxylic Acid |
CAS: |
872001-50-8 |
Synonyms: |
2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid; 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid |
Description: | 2-Boc-1,2,3,4-tetrahydroisoquinoline-5-carboxylic Acid (CAS# 872001-50-8) is a useful research chemical. |
Molecular Weight: | 277.32 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C1)C(=O)O |
InChI: | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-7-11-10(9-16)5-4-6-12(11)13(17)18/h4-6H,7-9H2,1-3H3,(H,17,18) |
InChI Key: | VSVCDLLWJXPCKF-UHFFFAOYSA-N |
LogP: | 2.61590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020145227-A1 | Complex comprising ligand, spacer, peptide linker, and biomolecule | 20190107 |
WO-2020145228-A1 | Complex comprising ligand and ceacam5 antibody fab fragment | 20190107 |
TW-202043288-A | Complex containing ligand and Fab fragment of CEACAM5 antibody | 20190107 |
TW-202043289-A | Comprising ligand, spacer, peptide linker and biomolecule complex | 20190107 |
CN-113271973-A | Complex comprising a ligand and a CEACAM5 antibody Fab fragment | 20190107 |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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