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64234-61-3 molecular structure
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(3S)-3-aminohexanoic acid hydrochloride

ChemBase ID: 796952
Molecular Formular: C6H14ClNO2
Molecular Mass: 167.63386
Monoisotopic Mass: 167.07130637
SMILES and InChIs

SMILES:
Cl.C(=O)(C[C@H](CCC)N)O
Canonical SMILES:
CCC[C@@H](CC(=O)O)N.Cl
InChI:
InChI=1S/C6H13NO2.ClH/c1-2-3-5(7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m0./s1
InChIKey:
UGGBHZGUSDAGRJ-JEDNCBNOSA-N

Cite this record

CBID:796952 http://www.chembase.cn/molecule-796952.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-aminohexanoic acid hydrochloride
IUPAC Traditional name
(3S)-3-aminohexanoic acid hydrochloride
Synonyms
(S)-3-AMinohexanoic acid hydrochloride
CAS Number
64234-61-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5089 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5089 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3895297  H Acceptors
H Donor LogD (pH = 5.5) -1.8160323 
LogD (pH = 7.4) -1.7899113  Log P -1.7902672 
Molar Refractivity 34.2466 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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