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42389-59-3 molecular structure
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1-propylpiperidin-4-amine

ChemBase ID: 26226
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CCC(CC1)N)CCC
Canonical SMILES:
CCCN1CCC(CC1)N
InChI:
InChI=1S/C8H18N2/c1-2-5-10-6-3-8(9)4-7-10/h8H,2-7,9H2,1H3
InChIKey:
ZCYVGFQRDRGDJM-UHFFFAOYSA-N

Cite this record

CBID:26226 http://www.chembase.cn/molecule-26226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-propylpiperidin-4-amine
IUPAC Traditional name
1-propylpiperidin-4-amine
Synonyms
1-Propylpiperidin-4-amine
CAS Number
42389-59-3
MDL Number
MFCD04967262
PubChem SID
160989533
PubChem CID
541730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 541730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.807249  LogD (pH = 7.4) -3.8374567 
Log P 0.28067762  Molar Refractivity 44.6425 cm3
Polarizability 17.811394 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
0.452 expand Show data source
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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