MNNG – N-methyl-N'-nitro-N-nitrosoguanidine

Name
WID MNNG View in model
Name N-methyl-N'-nitro-N-nitrosoguanidine View in model
Traditional name 1-methyl-2-nitro-1-nitrosoguanidine
IUPAC name 1-methyl-2-nitro-1-nitrosoguanidine
Cross references ChEBI: 21759, PubChem: 85240171, KEGG: C14592
 
Classification
Type alkylating_agent_methylation View in model
 
Structure
Empirical formula (pH 7.5) H5C2N5O3
SMILES (pH 7.5) CN(C(=N[N+](=O)[O-])N)N=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 147.09 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
109.94
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP -0.440
logD (pH 7.5) -0.440
 
Function
Reaction participant View in model
 
Comments
Comments SN1 DNA methylating agent [PUB_0465]. Media concentration set to same concentration as Mg2+.
References
  1. Sedgwick B. Repairing DNA-methylation damage. Nat Rev Mol Cell Biol 5, 148-57 (2004). WholeCell: PUB_0465, PubMed: 15040447

 
Metadata
Created 2012-10-01 15:07:03
Last updated 2012-10-01 15:12:22