tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
Basic information
- CAS
1540071-42-8- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc2c1CNCC2- InChIKey
ZURNMIXARKIACI-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
- IUPAC
- tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
- English name
- tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
1540071-42-8tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamateRefChem:895192864-238-4tert-Butyl (1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate1,1-DIMETHYLETHYL N-(1,2,3,4-TETRAHYDRO-8-ISOQUINOLINYL)CARBAMATEQLC07142MFCD23897874AKOS018995210SY1620618-(Boc-amino)-1,2,3,4-tetrahydroisoquinolineEN300-155619
Show more names
1,1-Dimethylethyl N-(1,2,3,4-tetrahydro-8-isoquinolinyl)carbamate - [D94089]Carbamic acid, N-(1,2,3,4-tetrahydro-8-isoquinolinyl)-, 1,1-dimethylethyl ester
G76399tert-Butyl(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
Database identifiers
- CAS
1540071-42-8- PubChem CID
- 80431879
- EC Number
- 864-238-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 334.4 · 334.4±42.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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