3-chloro-4-(4-ethylpiperazin-1-yl)aniline

3-chloro-4-(4-ethylpiperazin-1-yl)aniline

CAS: 853298-98-3

Formula: C12H18ClN3

SMILES: CCN1CCN(CC1)C1=C(Cl)C=C(N)C=C1

IUPAC: 3-chloro-4-(4-ethylpiperazin-1-yl)aniline

InChI: InChI=1S/C12H18ClN3/c1-2-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3

Composition: C (60.12%), H (7.57%), Cl (14.79%), N (17.53%)

Molar Mass: 239.75

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.1189253
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OGIDRFDLWCRRNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.79
Topological Polar Surface Area	32.5
Polarizability	26.32
Ring Count	2
Rotatable Bond Count	2

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