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127294-77-3 molecular structure
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N-methylpiperidin-3-amine dihydrochloride

ChemBase ID: 69132
Molecular Formular: C6H16Cl2N2
Molecular Mass: 187.11064
Monoisotopic Mass: 186.06905388
SMILES and InChIs

SMILES:
N1CC(CCC1)NC.Cl.Cl
Canonical SMILES:
CNC1CCCNC1.Cl.Cl
InChI:
InChI=1S/C6H14N2.2ClH/c1-7-6-3-2-4-8-5-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKey:
VEXIRMPBAHTVNL-UHFFFAOYSA-N

Cite this record

CBID:69132 http://www.chembase.cn/molecule-69132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methylpiperidin-3-amine dihydrochloride
IUPAC Traditional name
N-methylpiperidin-3-amine dihydrochloride
Synonyms
N-Methylpiperidin-3-amine dihydrochloride
3-Methylaminopiperidine dihydrochloride
CAS Number
127294-77-3
MDL Number
MFCD00673143
PubChem SID
162034861
PubChem CID
24820174

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24820174 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.7803946  LogD (pH = 7.4) -2.6710944 
Log P -0.09171735  Molar Refractivity 34.629 cm3
Polarizability 14.118806 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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