N-[4-(2,4-dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline

N-[4-(2,4-dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline

CAS: 1040686-69-8

Formula: C25H27Cl2NO2

SMILES: ClC1=CC(Cl)=C(OCCCCNC2=CC=C(OCCCC3=CC=CC=C3)C=C2)C=C1

IUPAC: N-[4-(2,4-dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline

InChI: InChI=1S/C25H27Cl2NO2/c26-21-10-15-25(24(27)19-21)30-17-5-4-16-28-22-11-13-23(14-12-22)29-18-6-9-20-7-2-1-3-8-20/h1-3,7-8,10-15,19,28H,4-6,9,16-18H2

Composition: C (67.57%), H (6.12%), Cl (15.95%), N (3.15%), O (7.20%)

Molar Mass: 444.4

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	443.1418845
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IRMOCGVPGNWLOG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.36
Topological Polar Surface Area	30.49
Polarizability	48.57
Ring Count	3
Rotatable Bond Count	12

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1040686-69-8		$212.83$212.83