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1185054-94-7 molecular structure
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(2H5)cyclopropane-1-carboxamide

ChemBase ID: 165246
Molecular Formular: C4H7NO
Molecular Mass: 85.10448
Monoisotopic Mass: 85.05276385
SMILES and InChIs

SMILES:
C1(CC1)C(=O)N
Canonical SMILES:
NC(=O)C1CC1
InChI:
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey:
AIMMVWOEOZMVMS-UHFFFAOYSA-N

Cite this record

CBID:165246 http://www.chembase.cn/molecule-165246.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H5)cyclopropane-1-carboxamide
IUPAC Traditional name
(2H5)cyclopropane-1-carboxamide
Synonyms
Cyclopropanecarboxamide-d5
Carbamoylcyclopropane-d5
NSC 402033-d5
Cyclopropylamide-d5
CAS Number
1185054-94-7
PubChem SID
162259379
PubChem CID
45038754

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C988617 external link Add to cart
PubChem 45038754 external link
Data Source Data ID Price
TRC
C988617 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038754 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.460144  H Acceptors
H Donor LogD (pH = 5.5) -0.25049222 
LogD (pH = 7.4) -0.2504921  Log P -0.2504921 
Molar Refractivity 21.8651 cm3 Polarizability 8.598534 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)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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