benzyldiethyl{2-[4-(2,2,4-trimethylpentyl)phenoxy]ethyl}azanium chloride

benzyldiethyl{2-[4-(2,2,4-trimethylpentyl)phenoxy]ethyl}azanium chloride

Formula: C27H42ClNO

SMILES: [Cl-].CC[N+](CC)(CCOC1=CC=C(CC(C)(C)CC(C)C)C=C1)CC1=CC=CC=C1

IUPAC: benzyldiethyl{2-[4-(2,2,4-trimethylpentyl)phenoxy]ethyl}azanium chloride

InChI: InChI=1S/C27H42NO.ClH/c1-7-28(8-2,22-25-12-10-9-11-13-25)18-19-29-26-16-14-24(15-17-26)21-27(5,6)20-23(3)4;/h9-17,23H,7-8,18-22H2,1-6H3;1H/q+1;/p-1

Composition: C (75.05%), H (9.80%), Cl (8.20%), N (3.24%), O (3.70%)

Molar Mass: 432.09

Atom Count: 72

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.2954927
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QJHSDBWTZFWIGQ-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	137.58
Topological Polar Surface Area	9.23
Polarizability	49.7
Ring Count	2
Rotatable Bond Count	12

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C27H42ClNO		Quote Only