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89622-00-4 | Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, nitrite
CAS No: 89622-00-4 Catalog No: AG003WPW MDL No:
Product Description
Catalog Number:
AG003WPW
Chemical Name:
Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, nitrite
CAS Number:
89622-00-4
Molecular Formula:
C13H30N4O2
Molecular Weight:
274.4029
IUPAC Name:
bis(diethylamino)methylidene-diethylazanium;nitrite
InChI:
InChI=1S/C13H30N3.HNO2/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6;2-1-3/h7-12H2,1-6H3;(H,2,3)/q+1;/p-1
InChI Key:
FYIWVPLQWPYWHF-UHFFFAOYSA-M
SMILES:
CCN(C(=[N+](CC)CC)N(CC)CC)CC.[O-]N=O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.237g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.409g/mol
Monoisotopic Mass:
274.237g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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