tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

CAS: 2095495-27-3

Formula: C17H30BNO4

SMILES: CC(C)(C)OC(=O)N1CCC2(CC2C1)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

InChI: InChI=1/C17H30BNO4/c1-14(2,3)21-13(20)19-9-8-17(10-12(17)11-19)18-22-15(4,5)16(6,7)23-18/h12H,8-11H2,1-7H3

Composition: C (63.17%), H (9.36%), B (3.34%), N (4.33%), O (19.80%)

Molar Mass: 323.24

Atom Count: 53

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	323.226788
Formal Charge	0
FSP3	0.94
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GBFVHJWDNSZUNB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.34
Topological Polar Surface Area	48
Polarizability	35.13
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2095495-27-3		$174.02-$5,974.62$174.02$290.03$406.04$597.71$1,793.14$2,987.31$5,974.62