benzyl 6-methyl-5-oxo-1,4-diazepane-1-carboxylate

benzyl 6-methyl-5-oxo-1,4-diazepane-1-carboxylate

Formula: C14H18N2O3

SMILES: CC1CN(CCNC1=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 6-methyl-5-oxo-1,4-diazepane-1-carboxylate

InChI: InChI=1/C14H18N2O3/c1-11-9-16(8-7-15-13(11)17)14(18)19-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)

Composition: C (64.11%), H (6.92%), N (10.68%), O (18.30%)

Molar Mass: 262.309

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	262.131742448
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DJAJEAIFJCKUPF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.6
Topological Polar Surface Area	58.64
Polarizability	27.45
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H18N2O3		Quote Only