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65960-32-9 molecular structure
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N-ethyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide

ChemBase ID: 168669
Molecular Formular: C9H17NO3
Molecular Mass: 187.23618
Monoisotopic Mass: 187.12084341
SMILES and InChIs

SMILES:
C1(CCC(=O)NCC)(OCCO1)C
Canonical SMILES:
CCNC(=O)CCC1(C)OCCO1
InChI:
InChI=1S/C9H17NO3/c1-3-10-8(11)4-5-9(2)12-6-7-13-9/h3-7H2,1-2H3,(H,10,11)
InChIKey:
DKACZMIEVYSEIP-UHFFFAOYSA-N

Cite this record

CBID:168669 http://www.chembase.cn/molecule-168669.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
IUPAC Traditional name
N-ethyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
Synonyms
N-Ethyl-2-methyl-1,3-dioxolane-2-propanamide
N-Ethyl-(3-(2-methyl-[1,3]dioxolan-2-yl)propionamide
CAS Number
65960-32-9
PubChem SID
162262801
PubChem CID
29979977

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925087 external link Add to cart
PubChem 29979977 external link
Data Source Data ID Price
TRC
E925087 external link Add to cart Please log in.
Data Source Data ID
PubChem 29979977 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.873737  H Acceptors
H Donor LogD (pH = 5.5) 0.028486473 
LogD (pH = 7.4) 0.028486961  Log P 0.028486969 
Molar Refractivity 48.9633 cm3 Polarizability 19.212313 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil 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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