tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate

tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate

CAS: 1254120-12-1

Formula: C9H15N3O2

SMILES: CC(C)(C)OC(=O)N1CC(N)(C1)C#N

IUPAC: tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate

InChI: InChI=1S/C9H15N3O2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h5-6,11H2,1-3H3

Composition: C (54.81%), H (7.67%), N (21.30%), O (16.22%)

Molar Mass: 197.238

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	197.116426735
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BTLBBSVDHIWMDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.44
Topological Polar Surface Area	79.35
Polarizability	19.89
Ring Count	1
Rotatable Bond Count	2

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99.33%	<7 Days	1254120-12-1		$108.46-$3,627.80$108.46$144.93$345.95$1,088.34$1,813.90$3,627.80

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