tert-butyl N-(4-propanoylpyridin-3-yl)carbamate

tert-butyl N-(4-propanoylpyridin-3-yl)carbamate

CAS: 1260789-07-8

Formula: C13H18N2O3

SMILES: CCC(=O)C1=C(NC(=O)OC(C)(C)C)C=NC=C1

IUPAC: tert-butyl N-(4-propanoylpyridin-3-yl)carbamate

InChI: InChI=1S/C13H18N2O3/c1-5-11(16)9-6-7-14-8-10(9)15-12(17)18-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,17)

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GRUUQAVOOCLUCD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.22
Topological Polar Surface Area	68.29
Polarizability	26.13
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260789-07-8		$1,300.00-$1,800.00$1,300.00$1,460.00$1,800.00