benzyl N-[(1R)-1-cyanoethyl]carbamate

benzyl N-[(1R)-1-cyanoethyl]carbamate

CAS: 176894-58-9

Formula: C11H12N2O2

SMILES: C[C@@H](NC(=O)OCC1=CC=CC=C1)C#N

IUPAC: benzyl N-[(1R)-1-cyanoethyl]carbamate

InChI: InChI=1S/C11H12N2O2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m1/s1

Composition: C (64.69%), H (5.92%), N (13.72%), O (15.67%)

Molar Mass: 204.229

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	204.089877634
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RKPTZVZVBGXQSI-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.16
Topological Polar Surface Area	62.12
Polarizability	21.28
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	176894-58-9		$388.13-$2,430.18$388.13$859.05$2,430.18

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	176894-58-9		$293.25-$1,937.75$293.25$672.75$1,937.75