Basic information
- CAS
885954-16-5- Standard SMILES
CC(C)(C)OC(=O)N1CC(N)Cc2ccccc21- InChIKey
MVZZYBHLXOUNIT-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- Tert-butyl 3-amino-1,2,3,4-tetrahydroquinoline-1-carboxylate
- IUPAC
- tert-butyl 3-amino-3,4-dihydro-2H-quinoline-1-carboxylate
- English name
- 3-Amino-1-Boc-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
tert-butyl 3-amino-1,2,3,4-tetrahydroquinoline-1-carboxylateRefChem:893173859-285-2885954-16-5tert-Butyl 3-amino-3,4-dihydroquinoline-1(2H)-carboxylate3-Amino-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl esterTert-butyl 3-amino-3,4-dihydro-2H-quinoline-1-carboxylateMFCD040384563-AMINO-1-BOC-1,2,3,4-TETRAHYDROQUINOLINESCHEMBL26115263SCHEMBL30632531DTXSID30403540
Show more names
3-Amino-3,4-dihydroquinoline-1-carboxylic acid tert-butyl ester1(2H)-Quinolinecarboxylic acid, 3-amino-3,4-dihydro-, 1,1-dimethylethyl ester
KKB95416AKOS023497226FS-5879SB31478SB31561SB39591DB-078018CS-0212119
Database identifiers
- CAS
885954-16-5- PubChem CID
- 4462292
- DTXSID
DTXSID30403540- EC Number
- 859-285-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- form
- liquid
- color
- Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers12 total
Aladdin Scientific[email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
上海智乾生物科技有限公司[email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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