Home > Compound List > Compound details
51938-19-3 molecular structure
click picture or here to close

methyl 2-[methyl(nitroso)amino]acetate

ChemBase ID: 175516
Molecular Formular: C4H8N2O3
Molecular Mass: 132.11792
Monoisotopic Mass: 132.05349213
SMILES and InChIs

SMILES:
N(CC(=O)OC)(C)N=O
Canonical SMILES:
CN(N=O)CC(=O)OC
InChI:
InChI=1S/C4H8N2O3/c1-6(5-8)3-4(7)9-2/h3H2,1-2H3
InChIKey:
GHWQTFSANJGRHR-UHFFFAOYSA-N

Cite this record

CBID:175516 http://www.chembase.cn/molecule-175516.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-[methyl(nitroso)amino]acetate
IUPAC Traditional name
methyl 2-[methyl(nitroso)amino]acetate
Synonyms
2-(Methylnitrosoamino)acetic Acid Methyl Ester
N-Methyl-N-nitrosoglycine Methyl Ester
Methyl N-Methyl-N-nitrosoglycinate
Methyl N-Nitrososarcosinate
Methyl(carboxymethyl)nitrosamine Methyl Ester
N-Nitroso Sarcosine Methyl Ester
CAS Number
51938-19-3
PubChem SID
164231426
PubChem CID
12222423

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N546660 external link Add to cart
PubChem 12222423 external link
Data Source Data ID Price
TRC
N546660 external link Add to cart Please log in.
Data Source Data ID
PubChem 12222423 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3377924  LogD (pH = 7.4) -0.3375124 
Log P -0.33750883  Molar Refractivity 30.9042 cm3
Polarizability 11.499577 Å3 Polar Surface Area 58.97 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N546660 external link
A carcinogenic compound.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lu, S., et al.: Cancer Res., 46, 1485 (1986)
  • • Tricker, A., et al.: Eur. J. Cancer Prev., 6, 226 (1986)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle