tert-Butyl (5-amino-2-chloropyridin-4-yl)carbamate
Basic information
- CAS
240815-75-2- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(Cl)ncc1N- InChIKey
LWDIGNJIWGFYGA-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3O2
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0774544
Names & identifiers
- Preferred name
- tert-Butyl (5-amino-2-chloropyridin-4-yl)carbamate
- IUPAC
- tert-butyl N-(5-amino-2-chloro-4-pyridinyl)carbamate
- English name
- CARBAMIC ACID, (5-AMINO-2-CHLORO-4-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
- Molecular formula
- C10H14ClN3O2
- Molecular weight
- 243.69
Names & synonyms
240815-75-2tert-Butyl (5-amino-2-chloropyridin-4-yl)carbamate(5-Amino-2-chloro-pyridin-4-yl)-carbamic acid tert-butyl estertert-butyl N-(5-amino-2-chloropyridin-4-yl)carbamateMFCD11977420SCHEMBL4036319DTXSID40458405AKOS024262198SB36031CS-0340982G81972tert-Butyl(5-amino-2-chloropyridin-4-yl)carbamate
Show more names
(5-Amino-2-chloro-pyridin-4-yl)-carbamic acid tert-butyl esteN-(5-amino-2-chloro-4-pyridinyl)carbamic acid tert-butyl ester(5-amino-2-chloro-4-pyridinyl)carbamic acid 1,1-dimethylethyl esterCARBAMIC ACID, (5-AMINO-2-CHLORO-4-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTERCarbamic acid, (5-amino-2-chloro-4-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
tert-butyl N-(5-amino-2-chloro-4-pyridyl)carbamate(5-Amino-2-chloro-pyridin-4-yl)-carbamic acid t-butyl ester
Database identifiers
- CAS
240815-75-2- PubChem CID
- 11195909
- DTXSID
DTXSID40458405
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 342.9 · 342.9±42.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 11.57 · 11.57±0.70(Predicted)
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Compound notes
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