tert-butyl 1-aminoazepane-3-carboxylate

tert-butyl 1-aminoazepane-3-carboxylate

CAS: 454451-26-4

Formula: C11H22N2O2

SMILES: CC(C)(C)OC(=O)C1CCCCN(N)C1

IUPAC: tert-butyl 1-aminoazepane-3-carboxylate

InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)9-6-4-5-7-13(12)8-9/h9H,4-8,12H2,1-3H3

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 214.309

Atom Count: 37

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	214.168127956
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GQZJTMNVWICGDQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.58
Topological Polar Surface Area	55.56
Polarizability	23.88
Ring Count	1
Rotatable Bond Count	3

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95%	<5 Days	454451-26-4		$700.00-$1,700.00$700.00$1,700.00