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1-[2-(aminomethyl)butyl]-3-bromobenzene

1-[2-(aminomethyl)butyl]-3-bromobenzene

CAS: 1250487-78-5

Formula: C11H16BrN

SMILES: CCC(CN)CC1=CC(Br)=CC=C1

IUPAC: 1-[2-(aminomethyl)butyl]-3-bromobenzene

InChI: InChI=1/C11H16BrN/c1-2-9(8-13)6-10-4-3-5-11(12)7-10/h3-5,7,9H,2,6,8,13H2,1H3

Composition: C (54.56%), H (6.66%), Br (33.00%), N (5.78%)

Molar Mass: 242.16

Atom Count: 29

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 241.046613
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MBPLZUDQKMLNDK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.58
Topological Polar Surface Area 26.02
Polarizability 23.67
Ring Count 1
Rotatable Bond Count 4

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