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225791-13-9 molecular structure
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(1S,2R)-2-aminocyclopentan-1-ol hydrochloride

ChemBase ID: 286685
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
O[C@@H]1[C@H](N)CCC1.Cl
Canonical SMILES:
O[C@H]1CCC[C@H]1N.Cl
InChI:
InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5+;/m1./s1
InChIKey:
ZFSXKSSWYSZPGQ-JBUOLDKXSA-N

Cite this record

CBID:286685 http://www.chembase.cn/molecule-286685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R)-2-aminocyclopentan-1-ol hydrochloride
IUPAC Traditional name
(1S,2R)-2-aminocyclopentan-1-ol hydrochloride
Synonyms
(1S,2R)-2-Aminocyclopentanol hydrochloride
CAS Number
225791-13-9
MDL Number
MFCD08704797
PubChem SID
180672216
PubChem CID
17039404

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD32733 Please log in.
Data Source Data ID
PubChem 17039404 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.611689  H Acceptors
H Donor LogD (pH = 5.5) -3.3597982 
LogD (pH = 7.4) -2.722022  Log P -0.3456606 
Molar Refractivity 27.6935 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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