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116574-75-5 molecular structure
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3-fluoropiperidine hydrochloride

ChemBase ID: 10759
Molecular Formular: C5H11ClFN
Molecular Mass: 139.5989432
Monoisotopic Mass: 139.05640526
SMILES and InChIs

SMILES:
C1CNCC(C1)F.Cl
Canonical SMILES:
FC1CCCNC1.Cl
InChI:
InChI=1S/C5H10FN.ClH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H
InChIKey:
RDJUBLSLAULIAT-UHFFFAOYSA-N

Cite this record

CBID:10759 http://www.chembase.cn/molecule-10759.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoropiperidine hydrochloride
IUPAC Traditional name
3-fluoropiperidine hydrochloride
Synonyms
3-Fluoropiperidine hydrochloride
3-Fluoropiperidine hydrochloride
3-氟哌啶
CAS Number
116574-75-5
MDL Number
MFCD03452799
PubChem SID
160974066
24885542
PubChem CID
2759156

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4868202  LogD (pH = 7.4) -0.9195281 
Log P 0.47367582  Molar Refractivity 26.5048 cm3
Polarizability 10.443085 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)
Melting Point
204 °C (dec.)(lit.) expand Show data source
204(dec.)°C expand Show data source
ca 227°C expand Show data source
Hydrophobicity(logP)
0.778 expand Show data source
Storage Warning
Harmful/Irritant/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
IRRITANT, AIR SENSITIVE expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H10FN · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 680168 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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