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38646-68-3 molecular structure
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4,4-dimethylpiperidine hydrochloride

ChemBase ID: 24596
Molecular Formular: C7H16ClN
Molecular Mass: 149.66164
Monoisotopic Mass: 149.0971272
SMILES and InChIs

SMILES:
N1CCC(CC1)(C)C.Cl
Canonical SMILES:
CC1(C)CCNCC1.Cl
InChI:
InChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H
InChIKey:
HQQCRVHZMQHQOA-UHFFFAOYSA-N

Cite this record

CBID:24596 http://www.chembase.cn/molecule-24596.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4-dimethylpiperidine hydrochloride
IUPAC Traditional name
4,4-dimethylpiperidine hydrochloride
Synonyms
4,4-Dimethylpiperidine hydrochloride
CAS Number
38646-68-3
MDL Number
MFCD00035295
PubChem SID
160987903
PubChem CID
22252902

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22252902 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9864352  LogD (pH = 7.4) -1.5144051 
Log P 1.2445539  Molar Refractivity 35.8591 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)
Hydrophobicity(logP)
1.973 expand Show data source
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
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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