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2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid - 97%, high purity , CAS No.149353-95-7
Basic Description
Synonyms | 149353-95-7 | 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID | N-Boc-1,2,3,4-Tetrahydroisoquinoline-7-carboxylic acid | 2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4 |
Specifications & Purity | ≥97% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
Pubchem Sid | 488199688 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199688 |
IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid |
INCHI | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18) |
InChi Key | FOOWPXAXLKCQAE-UHFFFAOYSA-N |
Canonical SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O |
Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O |
PubChem CID | 18988374 |
Molecular Weight | 277.32 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Moisture sensitive |
Molecular Weight | 277.310 g/mol |
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XLogP3 | 2.200 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 3 |
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Exact Mass | 277.131 Da |
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Monoisotopic Mass | 277.131 Da |
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Topological Polar Surface Area | 66.800 Ų |
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Heavy Atom Count | 20 |
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Formal Charge | 0 |
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Complexity | 388.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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