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Home > Nitro Compounds > 89749-48-4
89749-48-4 | Piperidine, 1-(iminomethyl)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 89749-48-4 Catalog No: AG0040MW MDL No:
Product Description
Catalog Number:
AG0040MW
Chemical Name:
Piperidine, 1-(iminomethyl)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
89749-48-4
Molecular Formula:
C12H15N5O7
Molecular Weight:
341.2768
IUPAC Name:
piperidin-1-ylmethanimine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C6H12N2/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-6-8-4-2-1-3-5-8/h1-2,10H;6-7H,1-5H2
InChI Key:
ZZHNSDIAIQZBMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.N=CN1CCCCC1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.28g/mol
Monoisotopic Mass:
341.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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