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67306-00-7 molecular structure
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1-{2-[(4-tert-butylphenyl)methyl]propyl}piperidine

ChemBase ID: 158124
Molecular Formular: C19H31N
Molecular Mass: 273.45614
Monoisotopic Mass: 273.24565
SMILES and InChIs

SMILES:
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1
Canonical SMILES:
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1
InChI:
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey:
MGNFYQILYYYUBS-UHFFFAOYSA-N

Cite this record

CBID:158124 http://www.chembase.cn/molecule-158124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{2-[(4-tert-butylphenyl)methyl]propyl}piperidine
IUPAC Traditional name
fenpropidin
Synonyms
Fenpropidin
苯锈定
CAS Number
67306-00-7
MDL Number
MFCD00242960
Beilstein Number
5336091
PubChem SID
162252260
24869658
PubChem CID
91694

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
46017 external link Add to cart Please log in.
Data Source Data ID
PubChem 91694 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9414847  LogD (pH = 7.4) 2.7863066 
Log P 5.4082675  Molar Refractivity 89.2362 cm3
Polarizability 35.004704 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
TM7292000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
21/22-36 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H319 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C19H31N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 46017 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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