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7006-50-0 molecular structure
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1-benzyl-N-methylpiperidin-4-amine

ChemBase ID: 43410
Molecular Formular: C13H20N2
Molecular Mass: 204.3113
Monoisotopic Mass: 204.16264865
SMILES and InChIs

SMILES:
N1(Cc2ccccc2)CCC(CC1)NC
Canonical SMILES:
CNC1CCN(CC1)Cc1ccccc1
InChI:
InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKey:
RGEQSTMITLEXKD-UHFFFAOYSA-N

Cite this record

CBID:43410 http://www.chembase.cn/molecule-43410.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-N-methylpiperidin-4-amine
IUPAC Traditional name
1-benzyl-N-methylpiperidin-4-amine
Synonyms
1-benzyl-N-methylpiperidin-4-amine
1-Benzyl-N-methyl-4-piperidinamine
1-Benzyl-4-(N-methyl)piperidinamine
1-Benzyl-4-(methylamino)piperidine
1-苄基-4-(甲氨基)哌啶
CAS Number
7006-50-0
MDL Number
MFCD03931054
PubChem SID
162048173
PubChem CID
4136128

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7049665  LogD (pH = 7.4) -1.7393954 
Log P 1.5584008  Molar Refractivity 64.7571 cm3
Polarizability 25.600323 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110 °C @ 0.7mBar expand Show data source
110°C/0.7mm expand Show data source
Hydrophobicity(logP)
1.328 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
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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