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101710-60-5 | 1-Propanaminium, 3-[[imino(nitroamino)methyl]amino]-N,N,N-trimethyl-, iodide (1:1)
CAS No: 101710-60-5 Catalog No: AG0005AP MDL No:
Product Description
Catalog Number:
AG0005AP
Chemical Name:
1-Propanaminium, 3-[[imino(nitroamino)methyl]amino]-N,N,N-trimethyl-, iodide (1:1)
CAS Number:
101710-60-5
Molecular Formula:
C7H18IN5O2
Molecular Weight:
331.1546
IUPAC Name:
3-[[amino(nitramido)methylidene]amino]propyl-trimethylazanium;iodide
InChI:
InChI=1S/C7H18N5O2.HI/c1-12(2,3)6-4-5-9-7(8)10-11(13)14;/h4-6H2,1-3H3,(H3,8,9,10);1H/q+1;/p-1
InChI Key:
DSUQYGWLXGSJPZ-UHFFFAOYSA-M
SMILES:
N=C(N[N+](=O)[O-])NCCC[N+](C)(C)C.[I-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.158g/mol
Monoisotopic Mass:
331.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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