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1241725-69-8 molecular structure
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tert-butyl 4-(cyclopropylmethylidene)piperidine-1-carboxylate

ChemBase ID: 63797
Molecular Formular: C14H23NO2
Molecular Mass: 237.33792
Monoisotopic Mass: 237.17287898
SMILES and InChIs

SMILES:
C(=O)(N1CCC(=CC2CC2)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC(=CC2CC2)CC1)OC(C)(C)C
InChI:
InChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-8-6-12(7-9-15)10-11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKey:
WGDYDVQPHSWODG-UHFFFAOYSA-N

Cite this record

CBID:63797 http://www.chembase.cn/molecule-63797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(cyclopropylmethylidene)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(cyclopropylmethylidene)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(cyclopropylmethylene)-piperidine-1-carboxylate
CAS Number
1241725-69-8
MDL Number
MFCD17015067
PubChem SID
162029536
PubChem CID
49761295

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069122 external link Add to cart Please log in.
Data Source Data ID
PubChem 49761295 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.534551  LogD (pH = 7.4) 2.534551 
Log P 2.534551  Molar Refractivity 69.1775 cm3
Polarizability 26.715235 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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