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50347-17-6 molecular structure
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6-(methylamino)hexan-1-ol

ChemBase ID: 53447
Molecular Formular: C7H17NO
Molecular Mass: 131.21598
Monoisotopic Mass: 131.13101417
SMILES and InChIs

SMILES:
N(CCCCCCO)C
Canonical SMILES:
OCCCCCCNC
InChI:
InChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKey:
RURWAYHDLRPVAE-UHFFFAOYSA-N

Cite this record

CBID:53447 http://www.chembase.cn/molecule-53447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(methylamino)hexan-1-ol
IUPAC Traditional name
6-(methylamino)hexan-1-ol
Synonyms
6-(Methylamino)hexan-1-ol
6-METHYLAMINOHEXANOL-1
CAS Number
50347-17-6
MDL Number
MFCD00046026
PubChem SID
162058210
PubChem CID
10942457

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10942457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) -2.651757 
LogD (pH = 7.4) -2.306381  Log P 0.5834793 
Molar Refractivity 39.6977 cm3 Polarizability 15.770842 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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