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35665-25-9 molecular structure
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N-benzylcyclopropanecarboxamide

ChemBase ID: 138770
Molecular Formular: C11H13NO
Molecular Mass: 175.22702
Monoisotopic Mass: 175.09971404
SMILES and InChIs

SMILES:
c1ccc(cc1)CNC(=O)C1CC1
Canonical SMILES:
O=C(C1CC1)NCc1ccccc1
InChI:
InChI=1S/C11H13NO/c13-11(10-6-7-10)12-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKey:
WPETWIRCSJXPAN-UHFFFAOYSA-N

Cite this record

CBID:138770 http://www.chembase.cn/molecule-138770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzylcyclopropanecarboxamide
IUPAC Traditional name
N-benzylcyclopropanecarboxamide
Synonyms
N-Benzylcyclopropanecarboxamide
N-苄基环丙甲酰胺
CAS Number
35665-25-9
MDL Number
MFCD00001279
PubChem SID
162233021
PubChem CID
568836

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
277983 external link Add to cart Please log in.
Data Source Data ID
PubChem 568836 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.776602  H Acceptors
H Donor LogD (pH = 5.5) 1.697657 
LogD (pH = 7.4) 1.6976571  Log P 1.6976571 
Molar Refractivity 51.3744 cm3 Polarizability 20.014374 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C11H13NO expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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