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162104017 molecular structure
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4-aminohexanoic acid hydrochloride

ChemBase ID: 71834
Molecular Formular: C6H14ClNO2
Molecular Mass: 167.63386
Monoisotopic Mass: 167.07130637
SMILES and InChIs

SMILES:
C(C(CCC(=O)O)N)C.Cl
Canonical SMILES:
CCC(CCC(=O)O)N.Cl
InChI:
InChI=1S/C6H13NO2.ClH/c1-2-5(7)3-4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKey:
MORUJRYHFAWQOJ-UHFFFAOYSA-N

Cite this record

CBID:71834 http://www.chembase.cn/molecule-71834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminohexanoic acid hydrochloride
IUPAC Traditional name
4-amino hexanoic acid hydrochloride
Synonyms
4-Aminohexanoic acid hydrochloride
PubChem SID
162104017
PubChem CID
71299955

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 71299955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.699982  H Acceptors
H Donor LogD (pH = 5.5) -1.9975244 
LogD (pH = 7.4) -1.9462129  Log P -1.9467086 
Molar Refractivity 34.4006 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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