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1370601-16-3 | 4-Bromo-2-(1-methylethyl)-benzenemethanamine
CAS No: 1370601-16-3 Catalog No: AG01FAND MDL No:
Product Description
Catalog Number:
AG01FAND
Chemical Name:
4-Bromo-2-(1-methylethyl)-benzenemethanamine
CAS Number:
1370601-16-3
Molecular Formula:
C10H14BrN
Molecular Weight:
228.1289
IUPAC Name:
(4-bromo-2-propan-2-ylphenyl)methanamine
InChI:
InChI=1S/C10H14BrN/c1-7(2)10-5-9(11)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChI Key:
LLEAZBGNGDPCIN-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1C(C)C)Br
Properties
Complexity:
136
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:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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