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2506-78-7 | 2,4-Pentadien-1-aminium, 5-(dimethylamino)-N,N-dimethyl-, perchlorate (1:1)
CAS No: 2506-78-7 Catalog No: AG002QBP MDL No:
Product Description
Catalog Number:
AG002QBP
Chemical Name:
2,4-Pentadien-1-aminium, 5-(dimethylamino)-N,N-dimethyl-, perchlorate (1:1)
CAS Number:
2506-78-7
Molecular Formula:
C9H19ClN2O4
Molecular Weight:
254.7112
IUPAC Name:
5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium;perchlorate
InChI:
InChI=1S/C9H17N2.ClHO4/c1-10(2)8-6-5-7-9-11(3)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
WPUGGWWDFLGUEX-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[NH+](CC=CC=CN(C)C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.695g/mol
Monoisotopic Mass:
252.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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