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1209587-37-0 molecular structure
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4-(1-methoxypropan-2-yl)piperidine hydrochloride

ChemBase ID: 55857
Molecular Formular: C9H20ClNO
Molecular Mass: 193.7142
Monoisotopic Mass: 193.12334195
SMILES and InChIs

SMILES:
C1CNCCC1C(COC)C.Cl
Canonical SMILES:
COCC(C1CCNCC1)C.Cl
InChI:
InChI=1S/C9H19NO.ClH/c1-8(7-11-2)9-3-5-10-6-4-9;/h8-10H,3-7H2,1-2H3;1H
InChIKey:
TUKSVLVISJVMLH-UHFFFAOYSA-N

Cite this record

CBID:55857 http://www.chembase.cn/molecule-55857.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-methoxypropan-2-yl)piperidine hydrochloride
IUPAC Traditional name
4-(1-methoxypropan-2-yl)piperidine hydrochloride
Synonyms
4-(2-Methoxy-1-methylethyl)piperidine hydrochloride
CAS Number
1209587-37-0
MDL Number
MFCD18483528
PubChem SID
162060620
PubChem CID
50944279

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 50944279 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.27107  LogD (pH = 7.4) -1.8141558 
Log P 0.9604961  Molar Refractivity 47.1365 cm3
Polarizability 18.799707 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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