Allyl-(4-chloro-pyridin-3-yl)-carbamic acid tert-butyl ester

HCID 68554147

Notes Reactions

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Basic information

CAS: 1068976-16-8
Standard SMILES: C=CCN(C(=O)OC(C)(C)C)c1cnccc1Cl
InChIKey: FRZSYUDAPWIMQI-UHFFFAOYSA-N
Molecular formula: C13H17ClN2O2
Average molar mass: 268.74 g/mol
Monoisotopic mass: 268.0978555

Names & identifiers

Preferred name: Allyl-(4-chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-(4-chloro-3-pyridinyl)-N-prop-2-enylcarbamate

Names & synonyms

SCHEMBL3219458FRZSYUDAPWIMQI-UHFFFAOYSA-NDTXSID001132450tert-Butyl (4-chloropyridin-3-yl)prop-2-en-1-ylcarbamateallyl-(4-chloro-pyridin-3-yl)-carbamic acid tert-butyl esterCarbamic acid, N-(4-chloro-3-pyridinyl)-N-2-propen-1-yl-, 1,1-dimethylethyl ester1068976-16-8

Database identifiers

CAS: 1068976-16-8
PubChem CID: 68554147
DTXSID: DTXSID001132450

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 302

Related reactions

2 records

New reaction record

HRID 125787As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2382099As productuspto-grants-2012_09

Compound notes

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