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124555-33-5 molecular structure
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rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride

ChemBase ID: 797362
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
Cl.[C@@H]1(C[C@@H](CC1)N)O
Canonical SMILES:
N[C@@H]1CC[C@H](C1)O.Cl
InChI:
InChI=1S/C5H11NO.ClH/c6-4-1-2-5(7)3-4;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKey:
SGKRJNWIEGYWGE-TYSVMGFPSA-N

Cite this record

CBID:797362 http://www.chembase.cn/molecule-797362.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
IUPAC Traditional name
rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
Synonyms
(1R,3R)-rel-3-AMinocyclopentanol hydrochloride
CAS Number
124555-33-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O7051 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O7051 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.209525  H Acceptors
H Donor LogD (pH = 5.5) -3.7511256 
LogD (pH = 7.4) -3.2488625  Log P -0.73026955 
Molar Refractivity 27.9579 cm3 Polarizability 11.356206 Å3
Polar Surface Area 46.25 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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