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4-[2-(azepan-1-yl)ethyl]aniline dihydrochloride

4-[2-(azepan-1-yl)ethyl]aniline dihydrochloride

CAS: 863249-80-3

Formula: C14H24Cl2N2

SMILES: Cl.Cl.NC1=CC=C(CCN2CCCCCC2)C=C1

IUPAC: 4-[2-(azepan-1-yl)ethyl]aniline dihydrochloride

InChI: InChI=1S/C14H22N2.2ClH/c15-14-7-5-13(6-8-14)9-12-16-10-3-1-2-4-11-16;;/h5-8H,1-4,9-12,15H2;2*1H

Composition: C (57.73%), H (8.31%), Cl (24.34%), N (9.62%)

Molar Mass: 291.26

Atom Count: 42

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 290.1316542
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SCCXWIUBJMPMJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.8
Topological Polar Surface Area 29.26
Polarizability 26.96
Ring Count 2
Rotatable Bond Count 3

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