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73164-32-6 molecular structure
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2-methyl-4-(piperidin-1-yl)aniline

ChemBase ID: 47867
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
N1(c2cc(c(cc2)N)C)CCCCC1
Canonical SMILES:
Nc1ccc(cc1C)N1CCCCC1
InChI:
InChI=1S/C12H18N2/c1-10-9-11(5-6-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKey:
TWPRYUNMILQJSA-UHFFFAOYSA-N

Cite this record

CBID:47867 http://www.chembase.cn/molecule-47867.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-(piperidin-1-yl)aniline
IUPAC Traditional name
2-methyl-4-(piperidin-1-yl)aniline
Synonyms
2-Methyl-4-(1-piperidinyl)aniline
CAS Number
73164-32-6
MDL Number
MFCD11848959
PubChem SID
162052630
PubChem CID
350953

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 350953 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7492847  LogD (pH = 7.4) 2.3194683 
Log P 2.6161513  Molar Refractivity 62.3702 cm3
Polarizability 22.86965 Å3 Polar Surface Area 29.26 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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