{1-[(2,6-dimethylphenyl)carbamoyl]propyl}(ethyl)propylazanium chloride

{1-[(2,6-dimethylphenyl)carbamoyl]propyl}(ethyl)propylazanium chloride

CAS: 36637-19-1

Formula: C17H29ClN2O

SMILES: [Cl-].CCC[NH+](CC)C(CC)C(=O)NC1=C(C)C=CC=C1C

IUPAC: {1-[(2,6-dimethylphenyl)carbamoyl]propyl}(ethyl)propylazanium chloride

InChI: InChI=1/C17H28N2O.ClH/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H

Composition: C (65.26%), H (9.34%), Cl (11.33%), N (8.95%), O (5.11%)

Molar Mass: 312.88

Atom Count: 50

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	312.1968413
Formal Charge	0
FSP3	0.59
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	LMWQQUMMGGIGJQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.49
Topological Polar Surface Area	33.54
Polarizability	33.11
Ring Count	1
Rotatable Bond Count	7

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