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57189-90-9 molecular structure
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4-cyclopropanecarbonylaniline

ChemBase ID: 798084
Molecular Formular: C10H11NO
Molecular Mass: 161.20044
Monoisotopic Mass: 161.08406398
SMILES and InChIs

SMILES:
C(=O)(C1CC1)c1ccc(cc1)N
Canonical SMILES:
O=C(c1ccc(cc1)N)C1CC1
InChI:
InChI=1S/C10H11NO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2,11H2
InChIKey:
HQUVJEFKHBNWDN-UHFFFAOYSA-N

Cite this record

CBID:798084 http://www.chembase.cn/molecule-798084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopropanecarbonylaniline
IUPAC Traditional name
4-cyclopropanecarbonylaniline
Synonyms
(4-Amino-phenyl)-cyclopropyl-methanone
CAS Number
57189-90-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10341 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10341 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.356295  H Acceptors
H Donor LogD (pH = 5.5) 1.4804596 
LogD (pH = 7.4) 1.4817472  Log P 1.4817636 
Molar Refractivity 48.5604 cm3 Polarizability 18.15616 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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