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89316-78-9 | Benzenamine, N,N-bis(3-bromopropyl)-3-methyl-, hydrobromide
CAS No: 89316-78-9 Catalog No: AG00404Y MDL No:
Product Description
Catalog Number:
AG00404Y
Chemical Name:
Benzenamine, N,N-bis(3-bromopropyl)-3-methyl-, hydrobromide
CAS Number:
89316-78-9
Molecular Formula:
C13H20Br3N
Molecular Weight:
430.0166
IUPAC Name:
N,N-bis(3-bromopropyl)-3-methylaniline;hydrobromide
InChI:
InChI=1S/C13H19Br2N.BrH/c1-12-5-2-6-13(11-12)16(9-3-7-14)10-4-8-15;/h2,5-6,11H,3-4,7-10H2,1H3;1H
InChI Key:
AMAPITAWOCOHMD-UHFFFAOYSA-N
SMILES:
BrCCCN(c1cccc(c1)C)CCCBr.Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.913g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.022g/mol
Monoisotopic Mass:
426.915g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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