CC(C)(C)OC(=O)NC1=CN=CC=C1
CAS: 56700-70-0
Name: tert-butyl N-pyridin-3-ylcarbamate
SMILES: CC(C)(C)OC(=O)NC1=CN=CC=C1

Molecular Processing

Molecular formula
C10H14N2O2
Molecular weight
194.23
Exact mass
194.1055
XLogP
2.43
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
54.09

Supplementary Information

InChIKey: WKHGDPZRLXDVMJ-UHFFFAOYSA-N
Synonyme
3-(Boc-amino)pyridineRefChem:494341627-758-0tert-Butyl pyridin-3-ylcarbamate56700-70-03-tert-ButoxycarbonylaminopyridineTert-butyl N-pyridin-3-ylcarbamateMFCD02179231tert-butyl N-(3-pyridyl)carbamate3-(tert-butoxycarbonylamino)pyridinetert-Butyl (pyridin-3-yl)carbamateLinagliptin Impurity 27tert-Butyl pyridin-3-ylcarbamate;3-tert-Butoxycarbonylaminopyridine3-(Boc-amino)-pyridineTERT-BUTYL N-(PYRIDIN-3-YL)CARBAMATECARBAMIC ACID, 3-PYRIDINYL-, 1,1-DIMETHYLETHYL ESTERSCHEMBL349933t-butyl pyridine-3-ylcarbamateSCHEMBL1558873SCHEMBL3822448SCHEMBL4988646SCHEMBL7493751tert-butyl 3-pyridinylcarbamatetert-Butylpyridin-3-ylcarbamate3-(Boc-amino)pyridine, 97%SCHEMBL294573423-(t-butoxycarbonylamino)pyridineDTXSID60448782WKHGDPZRLXDVMJ-UHFFFAOYSA-NCS-M1308
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