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methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate hydrochloride - 97%, high purity , CAS No.1035700-06-1
Basic Description
Synonyms | 1035700-06-1 | METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXYLATE HYDROCHLORIDE | 1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid methyl ester hydrochloride | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBOXYLIC ACID METHYL ESTER HCL | Methyl 1,2,3,4-tetrahydroisoquin |
Specifications & Purity | ≥97% |
Storage Temp | Store at -20°C,Argon charged |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
Pubchem Sid | 504770395 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770395 |
IUPAC Name | methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride |
INCHI | InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10;/h2-4,12H,5-7H2,1H3;1H |
InChi Key | DTFQONPAXHKIBB-UHFFFAOYSA-N |
Canonical SMILES | COC(=O)C1=CC=CC2=C1CCNC2.Cl |
Isomeric SMILES | COC(=O)C1=CC=CC2=C1CCNC2.Cl |
PubChem CID | 44607840 |
Molecular Weight | 227.69 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Moisture sensitive |
Molecular Weight | 227.690 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 2 |
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Exact Mass | 227.071 Da |
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Monoisotopic Mass | 227.071 Da |
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Topological Polar Surface Area | 38.300 Ų |
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Heavy Atom Count | 15 |
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Formal Charge | 0 |
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Complexity | 217.000 |
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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 | 2 |
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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 |
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. 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. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. 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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