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22261-94-5 molecular structure
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1-methyl-N-phenylpiperidin-4-amine

ChemBase ID: 259273
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
N1(CCC(Nc2ccccc2)CC1)C
Canonical SMILES:
CN1CCC(CC1)Nc1ccccc1
InChI:
InChI=1S/C12H18N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey:
GXJSWUKLJQHQFZ-UHFFFAOYSA-N

Cite this record

CBID:259273 http://www.chembase.cn/molecule-259273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-N-phenylpiperidin-4-amine
IUPAC Traditional name
1-methyl-N-phenylpiperidin-4-amine
Synonyms
1-methyl-N-phenylpiperidin-4-amine
1-Benzyl-N-methyl-4-piperidinamine
4-Anilino-1-methylpiperidine
4-苯胺-1-甲基哌啶
CAS Number
22261-94-5
EC Number
244-882-7
MDL Number
MFCD06408133
PubChem SID
164315183
PubChem CID
89642

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 89642 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6783352  LogD (pH = 7.4) -0.039054383 
Log P 1.47283  Molar Refractivity 61.7029 cm3
Polarizability 23.35273 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)
Melting Point
81 - 83°C expand Show data source
82-86°C expand Show data source
Hydrophobicity(logP)
1.699 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
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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