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

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

CAS No.:
1250487-78-5
Catalog Number:
AG01AJKT
Molecular Formula:
C11H16BrN
Molecular Weight:
242.1554
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Product Description
Catalog Number:
AG01AJKT
Chemical Name:
1-[2-(aminomethyl)butyl]-3-bromobenzene
CAS Number:
1250487-78-5
Molecular Formula:
C11H16BrN
Molecular Weight:
242.1554
MDL Number:
MFCD11847877
IUPAC Name:
2-[(3-bromophenyl)methyl]butan-1-amine
InChI:
InChI=1S/C11H16BrN/c1-2-9(8-13)6-10-4-3-5-11(12)7-10/h3-5,7,9H,2,6,8,13H2,1H3
InChI Key:
MBPLZUDQKMLNDK-UHFFFAOYSA-N
SMILES:
CCC(Cc1cccc(c1)Br)CN
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.16g/mol
Monoisotopic Mass:
241.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties