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150869-52-6 | Benzenemethanamine, 4-bromo-N-propyl-
CAS No: 150869-52-6 Catalog No: AG001MW3 MDL No:MFCD04592181
Product Description
Catalog Number:
AG001MW3
Chemical Name:
Benzenemethanamine, 4-bromo-N-propyl-
CAS Number:
150869-52-6
Molecular Formula:
C10H14BrN
Molecular Weight:
228.1289
MDL Number:
MFCD04592181
IUPAC Name:
N-[(4-bromophenyl)methyl]propan-1-amine
InChI:
InChI=1S/C10H14BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChI Key:
LLWHQBWJJQFTPF-UHFFFAOYSA-N
SMILES:
CCCNCc1ccc(cc1)Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.133g/mol
Monoisotopic Mass:
227.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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