1,4-di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

1,4-di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

CAS: 459417-40-4

Formula: C15H26N2O5

SMILES: CC(C)(C)OC(=O)N1CCN(CC(=O)C1)C(=O)OC(C)(C)C

IUPAC: 1,4-di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

InChI: InChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-7-8-17(10-11(18)9-16)13(20)22-15(4,5)6/h7-10H2,1-6H3

Composition: C (57.31%), H (8.34%), N (8.91%), O (25.45%)

Molar Mass: 314.382

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	314.184171945
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PWHYEWGIMWCYTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.48
Topological Polar Surface Area	76.15
Polarizability	31.59
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	459417-40-4		$254.72-$1,197.95$254.72$431.26$1,197.95