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1248467-76-6 | Benzenepropanamine, 3-bromo-β-methyl-
CAS No: 1248467-76-6 Catalog No: AG000MSW MDL No:
Product Description
Catalog Number:
AG000MSW
Chemical Name:
Benzenepropanamine, 3-bromo-β-methyl-
CAS Number:
1248467-76-6
Molecular Formula:
C10H14BrN
Molecular Weight:
228.1289
IUPAC Name:
3-(3-bromophenyl)-2-methylpropan-1-amine
InChI:
InChI=1S/C10H14BrN/c1-8(7-12)5-9-3-2-4-10(11)6-9/h2-4,6,8H,5,7,12H2,1H3
InChI Key:
JJWIJUAFXXAWJD-UHFFFAOYSA-N
SMILES:
NCC(Cc1cccc(c1)Br)C
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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