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849605-02-3 | Ethanaminium, N-[bis(dimethylamino)methylene]-N-ethyl-, bromide
CAS No: 849605-02-3 Catalog No: AG004R7W MDL No:
Product Description
Catalog Number:
AG004R7W
Chemical Name:
Ethanaminium, N-[bis(dimethylamino)methylene]-N-ethyl-, bromide
CAS Number:
849605-02-3
Molecular Formula:
C9H22BrN3
Molecular Weight:
252.1951
IUPAC Name:
[diethylamino(dimethylamino)methylidene]-dimethylazanium;bromide
InChI:
InChI=1S/C9H22N3.BrH/c1-7-12(8-2)9(10(3)4)11(5)6;/h7-8H2,1-6H3;1H/q+1;/p-1
InChI Key:
AFYBCGSQSXQXAH-UHFFFAOYSA-M
SMILES:
CC[N+](=C(N(C)C)N(C)C)CC.[Br-]
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.2g/mol
Monoisotopic Mass:
251.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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