1,2-di-tert-butyl 1,2,5-triazepane-1,2-dicarboxylate

1,2-di-tert-butyl 1,2,5-triazepane-1,2-dicarboxylate

CAS: 952150-25-3

Formula: C14H27N3O4

SMILES: CC(C)(C)OC(=O)N1CCNCCN1C(=O)OC(C)(C)C

IUPAC: 1,2-di-tert-butyl 1,2,5-triazepane-1,2-dicarboxylate

InChI: InChI=1S/C14H27N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17(16)12(19)21-14(4,5)6/h15H,7-10H2,1-6H3

Composition: C (55.79%), H (9.03%), N (13.94%), O (21.23%)

Molar Mass: 301.387

Atom Count: 48

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	301.200156361
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YIMCWBVHSGIENW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.74
Topological Polar Surface Area	71.11
Polarizability	31.17
Ring Count	1
Rotatable Bond Count	4

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