1-tert-butyl 2-methyl 1,4-diazepane-1,2-dicarboxylate

1-tert-butyl 2-methyl 1,4-diazepane-1,2-dicarboxylate

Formula: C12H22N2O4

SMILES: COC(=O)C1CNCCCN1C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 2-methyl 1,4-diazepane-1,2-dicarboxylate

InChI: InChI=1/C12H22N2O4/c1-12(2,3)18-11(16)14-7-5-6-13-8-9(14)10(15)17-4/h9,13H,5-8H2,1-4H3

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 258.318

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	258.157957196
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GKLMJKMPXLLQQA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.91
Topological Polar Surface Area	67.87
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H22N2O4		Quote Only