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5437-48-9 molecular structure
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2-amino-1-(piperidin-1-yl)ethan-1-one hydrochloride

ChemBase ID: 48704
Molecular Formular: C7H15ClN2O
Molecular Mass: 178.6598
Monoisotopic Mass: 178.08729079
SMILES and InChIs

SMILES:
N1(C(=O)CN)CCCCC1.Cl
Canonical SMILES:
NCC(=O)N1CCCCC1.Cl
InChI:
InChI=1S/C7H14N2O.ClH/c8-6-7(10)9-4-2-1-3-5-9;/h1-6,8H2;1H
InChIKey:
OINZXLOVUKWACU-UHFFFAOYSA-N

Cite this record

CBID:48704 http://www.chembase.cn/molecule-48704.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-1-(piperidin-1-yl)ethan-1-one hydrochloride
IUPAC Traditional name
2-amino-1-(piperidin-1-yl)ethanone hydrochloride
Synonyms
2-amino-1-(piperidin-1-yl)ethan-1-one hydrochloride
2-Amino-1-(1-piperidinyl)-1-ethanone hydrochloride
CAS Number
5437-48-9
MDL Number
MFCD07366743
PubChem SID
162053467
PubChem CID
12291815

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12291815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1446283  LogD (pH = 7.4) -1.4605451 
Log P -0.6566999  Molar Refractivity 39.761 cm3
Polarizability 15.631624 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
185 - 187°C expand Show data source
Hydrophobicity(logP)
-0.261 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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