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

ChemBase ID: 287965
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
N[C@H]1C[C@H](O)CC1.Cl
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:287965 http://www.chembase.cn/molecule-287965.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
IUPAC Traditional name
(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
Synonyms
trans-3-Aminocyclopentanol hydrochloride
CAS Number
124555-33-5
PubChem SID
180673496
PubChem CID
42609651

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163722 Please log in.
Data Source Data ID
PubChem 42609651 external link

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
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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