N-cyano-N''-[(1S)-1-phenylethyl]-N'-(quinolin-5-yl)guanidine

N-cyano-N''-[(1S)-1-phenylethyl]-N'-(quinolin-5-yl)guanidine

CAS: 1125758-85-1

Formula: C19H17N5

SMILES: C[C@H](N=C(NC#N)NC1=CC=CC2=NC=CC=C12)C1=CC=CC=C1

IUPAC: N-cyano-N''-[(1S)-1-phenylethyl]-N'-(quinolin-5-yl)guanidine

InChI: InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1

Composition: C (72.36%), H (5.43%), N (22.21%)

Molar Mass: 315.38

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	315.148395567
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PQYCRDPLPKGSME-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.36
Topological Polar Surface Area	73.1
Polarizability	36.78
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1125758-85-1		$31.53-$175.28$31.53$78.18$102.14$134.93$175.28