Home > Compound List > Compound details
43380-64-9 molecular structure
click picture or here to close

(2H)methan(2H2)amide

ChemBase ID: 139030
Molecular Formular: CH3NO
Molecular Mass: 45.04062
Monoisotopic Mass: 45.02146372
SMILES and InChIs

SMILES:
C(=O)N
Canonical SMILES:
NC=O
InChI:
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InChIKey:
ZHNUHDYFZUAESO-UHFFFAOYSA-N

Cite this record

CBID:139030 http://www.chembase.cn/molecule-139030.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H)methan(2H2)amide
IUPAC Traditional name
(2H)methan(2H2)amide
Synonyms
Formamide-d3
甲酰胺-d3
CAS Number
43380-64-9
MDL Number
MFCD00144375
PubChem SID
162233281
24872117
PubChem CID
16213298

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
485683 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213298 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.66931  H Acceptors
H Donor LogD (pH = 5.5) -1.0789871 
LogD (pH = 7.4) -1.078987  Log P -1.078987 
Molar Refractivity 9.9754 cm3 Polarizability 3.849606 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
2-3 °C(lit.) expand Show data source
Boiling Point
210 °C(lit.) expand Show data source
Flash Point
154 °C expand Show data source
309.2 °F expand Show data source
Density
1.209 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.447(lit.) expand Show data source
Mass Shift
M+3 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
61 expand Show data source
Safety Statements
53-45 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H360D expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 48.00 by atom % calculation expand Show data source
Linear Formula
DCOND2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 485683 external link
Packaging
5 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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