3-(1-aminoethyl)-5-(trifluoromethyl)aniline hydrochloride

3-(1-aminoethyl)-5-(trifluoromethyl)aniline hydrochloride

Formula: C9H12ClF3N2

SMILES: Cl.CC(N)C1=CC(=CC(N)=C1)C(F)(F)F

IUPAC: 3-(1-aminoethyl)-5-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1/C9H11F3N2.ClH/c1-5(13)6-2-7(9(10,11)12)4-8(14)3-6;/h2-5H,13-14H2,1H3;1H

Composition: C (44.92%), H (5.03%), Cl (14.73%), F (23.68%), N (11.64%)

Molar Mass: 240.65

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	240.0641106
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BQPXUVZNJOWGIG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.62
Topological Polar Surface Area	52.04
Polarizability	17.77
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H12ClF3N2		Quote Only