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188745-07-5 | Benzenamine, 3-bromo-N,N-di-2-propen-1-yl-
CAS No: 188745-07-5 Catalog No: AG002H9K MDL No:
Product Description
Catalog Number:
AG002H9K
Chemical Name:
Benzenamine, 3-bromo-N,N-di-2-propen-1-yl-
CAS Number:
188745-07-5
Molecular Formula:
C12H14BrN
Molecular Weight:
252.1503
IUPAC Name:
3-bromo-N,N-bis(prop-1-en-2-yl)aniline
InChI:
InChI=1S/C12H14BrN/c1-9(2)14(10(3)4)12-7-5-6-11(13)8-12/h5-8H,1,3H2,2,4H3
InChI Key:
GVKANIOXPOZWDF-UHFFFAOYSA-N
SMILES:
C=CCN(c1cccc(c1)Br)CC=C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.155g/mol
Monoisotopic Mass:
251.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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