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Home > Nitro Compounds > 141649-35-6
141649-35-6 | 1,4,8,11-Tetraazacyclotetradecane, compd. with 2,4,6-trinitrophenol (1:2)
CAS No: 141649-35-6 Catalog No: AG001GTU MDL No:
Product Description
Catalog Number:
AG001GTU
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane, compd. with 2,4,6-trinitrophenol (1:2)
CAS Number:
141649-35-6
Molecular Formula:
C22H30N10O14
Molecular Weight:
658.5322
IUPAC Name:
1,4,8,11-tetrazacyclotetradecane;2,4,6-trinitrophenol
InChI:
InChI=1S/C10H24N4.2C6H3N3O7/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-14H,1-10H2;2*1-2,10H
InChI Key:
ZMQXRXCDPODONU-UHFFFAOYSA-N
SMILES:
C1NCCNCCCNCCNCC1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
658.194g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
658.538g/mol
Monoisotopic Mass:
658.194g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
364A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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