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2-bromo-4-(4-methylpiperazin-1-yl)aniline

2-bromo-4-(4-methylpiperazin-1-yl)aniline

CAS: 166818-86-6

Formula: C11H16BrN3

SMILES: CN1CCN(CC1)C1=CC=C(N)C(Br)=C1

IUPAC: 2-bromo-4-(4-methylpiperazin-1-yl)aniline

InChI: InChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)9-2-3-11(13)10(12)8-9/h2-3,8H,4-7,13H2,1H3

Composition: C (48.90%), H (5.97%), Br (29.58%), N (15.55%)

Molar Mass: 270.174

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.052761
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LFYUFSZCTMVRAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.86
Topological Polar Surface Area 32.5
Polarizability 25.35
Ring Count 2
Rotatable Bond Count 1

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