tert-butyl N-{4-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]butyl}-N-(2-cyanoethyl)carbamate

tert-butyl N-{4-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]butyl}-N-(2-cyanoethyl)carbamate

CAS: 194808-59-8

Formula: C20H34N4O4

SMILES: CC(C)(C)OC(=O)N(CCCCN(CCC#N)C(=O)OC(C)(C)C)CCC#N

IUPAC: tert-butyl N-(4-{[(tert-butoxy)carbonyl](2-cyanoethyl)amino}butyl)-N-(2-cyanoethyl)carbamate

InChI: InChI=1S/C20H34N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-10,13-16H2,1-6H3

Composition: C (60.89%), H (8.69%), N (14.20%), O (16.22%)

Molar Mass: 394.516

Atom Count: 62

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	394.258005591
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AJGMQGBTCUVDON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.44
Topological Polar Surface Area	106.66
Polarizability	41.11
Ring Count	0
Rotatable Bond Count	13

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	194808-59-8		$247.78-$1,584.83$247.78$528.28$1,584.83

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	194808-59-8		$181.58-$484.22$181.58$264.81$484.22