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3-bromo-2-[(dimethylamino)methyl]aniline

3-bromo-2-[(dimethylamino)methyl]aniline

Formula: C9H13BrN2

SMILES: CN(C)CC1=C(N)C=CC=C1Br

IUPAC: 3-bromo-2-[(dimethylamino)methyl]aniline

InChI: InChI=1S/C9H13BrN2/c1-12(2)6-7-8(10)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3

Composition: C (47.18%), H (5.72%), Br (34.87%), N (12.23%)

Molar Mass: 229.121

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.026211
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RVKPYBUBAMQVFV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.92
Topological Polar Surface Area 29.26
Polarizability 21.24
Ring Count 1
Rotatable Bond Count 2

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98% <10 Days C9H13BrN2 Quote Only
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