N-(4-butylphenyl)-2-cyanoacetamide

N-(4-butylphenyl)-2-cyanoacetamide

CAS: 54153-20-7

Formula: C13H16N2O

SMILES: CCCCC1=CC=C(NC(=O)CC#N)C=C1

IUPAC: N-(4-butylphenyl)-2-cyanoacetamide

InChI: InChI=1S/C13H16N2O/c1-2-3-4-11-5-7-12(8-6-11)15-13(16)9-10-14/h5-8H,2-4,9H2,1H3,(H,15,16)

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.126263143
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TXUGXSLBLAYKST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.09
Topological Polar Surface Area	52.89
Polarizability	24.18
Ring Count	1
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	54153-20-7		$101.60$101.60