Home > Compound List > Compound details
32833-96-8 molecular structure
click picture or here to close

(dimethylcarbamoyl)formic acid

ChemBase ID: 15030
Molecular Formular: C4H7NO3
Molecular Mass: 117.10328
Monoisotopic Mass: 117.04259309
SMILES and InChIs

SMILES:
C(=O)(C(=O)O)N(C)C
Canonical SMILES:
CN(C(=O)C(=O)O)C
InChI:
InChI=1S/C4H7NO3/c1-5(2)3(6)4(7)8/h1-2H3,(H,7,8)
InChIKey:
YKFGLGXRUVEMNF-UHFFFAOYSA-N

Cite this record

CBID:15030 http://www.chembase.cn/molecule-15030.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dimethylcarbamoyl)formic acid
IUPAC Traditional name
(dimethylcarbamoyl)formic acid
Synonyms
N,N-Dimethyloxamic acid
(Dimethylamino)(oxo)acetic acid
2-(Dimethylamino)-2-oxoacetic acid
CAS Number
32833-96-8
MDL Number
MFCD01971023
PubChem SID
160978337
PubChem CID
2760995

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.973285  H Acceptors
H Donor LogD (pH = 5.5) -3.1201305 
LogD (pH = 7.4) -4.1022353  Log P -0.62334204 
Molar Refractivity 26.0542 cm3 Polarizability 9.990525 Å3
Polar Surface Area 57.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
126-128°C expand Show data source
126-128°C(dec) expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle