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45584-07-4 molecular structure
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N-methylpiperidin-4-amine

ChemBase ID: 288558
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
CNC1CCNCC1
Canonical SMILES:
CNC1CCNCC1
InChI:
InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
InChIKey:
FHTGZDVYPCEHFQ-UHFFFAOYSA-N

Cite this record

CBID:288558 http://www.chembase.cn/molecule-288558.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methylpiperidin-4-amine
IUPAC Traditional name
N-methylpiperidin-4-amine
Synonyms
N-Methylpiperidin-4-amine
4-METHYLAMINOPIPERIDINE
CAS Number
45584-07-4
MDL Number
MFCD00078349
PubChem SID
180674089
PubChem CID
21973737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21973737 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.4078984  LogD (pH = 7.4) -4.4327164 
Log P -0.5491203  Molar Refractivity 34.8498 cm3
Polarizability 14.118806 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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