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1449-72-5 molecular structure
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ethan(15N)amide

ChemBase ID: 145563
Molecular Formular: C2H5NO
Molecular Mass: 60.0606089
Monoisotopic Mass: 60.03414868
SMILES and InChIs

SMILES:
CC(=O)[15NH2]
Canonical SMILES:
CC(=O)[15NH2]
InChI:
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/i3+1
InChIKey:
DLFVBJFMPXGRIB-LBPDFUHNSA-N

Cite this record

CBID:145563 http://www.chembase.cn/molecule-145563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethan(15N)amide
IUPAC Traditional name
ethan(15N)amide
Synonyms
Acetamide-15N
乙酰胺-15N
CAS Number
1449-72-5
MDL Number
MFCD00084187
PubChem SID
162239768
24872304
PubChem CID
12228446

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
487775 external link Add to cart Please log in.
Data Source Data ID
PubChem 12228446 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.745129  H Acceptors
H Donor LogD (pH = 5.5) -1.0302885 
LogD (pH = 7.4) -1.0302883  Log P -1.0302883 
Molar Refractivity 14.4659 cm3 Polarizability 5.658248 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
78-80 °C(lit.) expand Show data source
Boiling Point
221 °C(lit.) expand Show data source
Mass Shift
M+1 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Mol. Weight
mol wt 60.06 by atom % calculation expand Show data source
Linear Formula
CH3CO15NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 487775 external link
Packaging
1 g in glass bottle
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

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PATENTS

PATENTS

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INTERNET

INTERNET

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