Basic information
- CAS
887591-04-0- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc2c1CCNC2- InChIKey
JXHAKLFEWQOFND-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-5-yl)carbamate
- IUPAC
- tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
- English name
- (1,2,3,4-Tetrahydro-isoquinolin-5-yl)-carbamic acid tert-butyl ester
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamateRefChem:895190873-577-7887591-04-0tert-Butyl (1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-5-YL)-CARBAMIC ACID TERT-BUTYL ESTERtert-Butyl 1,2,3,4-tetrahydroisoquinolin-5-ylcarbamateDTXSID80652384MKB59104AKOS009995340DA-40798EN300-51756
Show more names
Carbamic acid, (1,2,3,4-tetrahydro-5-isoquinolinyl)-, 1,1-dimethylethyl ester (9CI)
G75360F921810tert-Butyl(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamateZ449364870
Database identifiers
- CAS
887591-04-0- PubChem CID
- 29947148
- DTXSID
DTXSID80652384- EC Number
- 873-577-7
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
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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