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6789-94-2 molecular structure
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1-ethylpiperidin-3-amine

ChemBase ID: 17869
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(CC(CCC1)N)CC
Canonical SMILES:
CCN1CCCC(C1)N
InChI:
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3
InChIKey:
WAKUKXKZEXFXJP-UHFFFAOYSA-N

Cite this record

CBID:17869 http://www.chembase.cn/molecule-17869.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethylpiperidin-3-amine
IUPAC Traditional name
3-piperidinamine, 1-ethyl-
Synonyms
1-Ethyl-piperidin-3-ylamine
1-Ethylpiperidin-3-amine 97%
1-ethyl-3-piperidinamine
1-ethylpiperidin-3-amine
1-Ethyl-3-piperidineamine
CAS Number
6789-94-2
MDL Number
MFCD00044587
PubChem SID
160981176
PubChem CID
98094

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.7383003  LogD (pH = 7.4) -2.4741344 
Log P 0.21555814  Molar Refractivity 39.8977 cm3
Polarizability 15.965017 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)
Hydrophobicity(logP)
0.783 expand Show data source
Storage Warning
IRRITANT expand Show data source
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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