tert-butyl azepane-2-carboxylate

tert-butyl azepane-2-carboxylate

CAS: 1340116-86-0

Formula: C11H21NO2

SMILES: CC(C)(C)OC(=O)C1CCCCCN1

IUPAC: tert-butyl azepane-2-carboxylate

InChI: InChI=1/C11H21NO2/c1-11(2,3)14-10(13)9-7-5-4-6-8-12-9/h9,12H,4-8H2,1-3H3

Composition: C (66.29%), H (10.62%), N (7.03%), O (16.06%)

Molar Mass: 199.294

Atom Count: 35

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	199.15722892
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BJYRCNMUNXPDKL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.84
Topological Polar Surface Area	38.33
Polarizability	22.55
Ring Count	1
Rotatable Bond Count	3

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