Basic information
- CAS
1008518-35-1- Standard SMILES
CC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2- InChIKey
PIPWCIVAFZNMML-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- Tert-butyl 6-acetyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- IUPAC
- tert-butyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
- English name
- 2-Boc-6-Acetyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C16H21NO3
- Molecular weight
- 275.34
Names & synonyms
tert-butyl 6-acetyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylateRefChem:894335994-638-52-Boc-6-Acetyl-1,2,3,4-tetrahydroisoquinoline1008518-35-1tert-butyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylatetert-Butyl 6-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylateMFCD124081222(1H)-Isoquinolinecarboxylic acid, 6-acetyl-3,4-dihydro-, 1,1-dimethylethyl esterSCHEMBL1365145DTXSID40731220YQF5165
Show more names
tert-butyl 6-acetyl-1,2,3,4-tetrahydroisoquinoline-2-carboxyl ate
PIPWCIVAFZNMML-UHFFFAOYSA-NAKOS015999155CS-0035571EN300-3543240F2126456-Acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic Acid Tert-Butyl Ester
Database identifiers
- CAS
1008518-35-1- PubChem CID
- 59190846
- DTXSID
DTXSID40731220
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海威芬奇医药科技有限公司13817485796 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
3 records
Compound notes
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