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1484-80-6 molecular structure
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2-ethylpiperidine

ChemBase ID: 138196
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
CCC1CCCCN1
Canonical SMILES:
CCC1CCCCN1
InChI:
InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3
InChIKey:
QBBKKFZGCDJDQK-UHFFFAOYSA-N

Cite this record

CBID:138196 http://www.chembase.cn/molecule-138196.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylpiperidine
IUPAC Traditional name
piperidine, 3-ethyl-,
Synonyms
2-Ethylpiperidine
2-Ethylpiperidine
2-乙基哌啶
CAS Number
1484-80-6
EC Number
216-058-7
MDL Number
MFCD00005988
Beilstein Number
79816
PubChem SID
162232454
PubChem CID
94205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6393735  LogD (pH = 7.4) -1.319927 
Log P 1.596585  Molar Refractivity 35.7782 cm3
Polarizability 14.445701 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
143 °C(lit.) expand Show data source
Flash Point
31 °C expand Show data source
87.8 °F expand Show data source
Density
0.85 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 3 expand Show data source
Purity
95+% expand Show data source
96% expand Show data source
Empirical Formula (Hill Notation)
C7H15N expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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