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Home > Nitro Compounds > 141343-94-4
141343-94-4 | 1,4,8,11-Tetraazacyclotetradec-4-ene, 5,12-dimethyl-12-(nitromethyl)-
CAS No: 141343-94-4 Catalog No: AG001G9R MDL No:
Product Description
Catalog Number:
AG001G9R
Chemical Name:
1,4,8,11-Tetraazacyclotetradec-4-ene, 5,12-dimethyl-12-(nitromethyl)-
CAS Number:
141343-94-4
Molecular Formula:
C13H27N5O2
Molecular Weight:
285.3858
IUPAC Name:
5,12-dimethyl-5-(nitromethyl)-1,4,8,11-tetrazacyclotetradec-11-ene
InChI:
InChI=1S/C13H27N5O2/c1-12-3-5-14-8-10-17-13(2,11-18(19)20)4-6-15-7-9-16-12/h14-15,17H,3-11H2,1-2H3
InChI Key:
MIEFQDFCCLAPOD-UHFFFAOYSA-N
SMILES:
CC1=NCCNCCC(NCCNCC1)(C)C[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.216g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.392g/mol
Monoisotopic Mass:
285.216g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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