tert-Butyl (6-aminoisoquinolin-1-yl)carbamate
Basic information
- CAS
431053-36-0- Standard SMILES
CC(C)(C)OC(=O)Nc1nccc2cc(N)ccc12- InChIKey
NSUIACCVZPAIIE-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- tert-Butyl (6-aminoisoquinolin-1-yl)carbamate
- IUPAC
- tert-butyl N-(6-aminoisoquinolin-1-yl)carbamate
- English name
- tert-butyl 6-aminoisoquinolin-1-ylcarbamate
- Molecular formula
- C14H17N3O2
- Molecular weight
- 259.3
Names & synonyms
tert-Butyl (6-aminoisoquinolin-1-yl)carbamate431053-36-0TERT-BUTYL N-(6-AMINOISOQUINOLIN-1-YL)CARBAMATESCHEMBL390269DTXSID30730964DB-115471tert-butyl 6-aminoisoquinolin-1-ylcarbamateCarbamic acid, (6-amino-1-isoquinolinyl)-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
431053-36-0- PubChem CID
- 59095947
- DTXSID
DTXSID30730964
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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