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1403864-74-3 molecular structure
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4-aminobicyclo[2.2.2]octan-1-ol hydrochloride

ChemBase ID: 293281
Molecular Formular: C8H16ClNO
Molecular Mass: 177.67174
Monoisotopic Mass: 177.09204182
SMILES and InChIs

SMILES:
OC12CCC(CC1)(N)CC2.Cl
Canonical SMILES:
NC12CCC(CC1)(CC2)O.Cl
InChI:
InChI=1S/C8H15NO.ClH/c9-7-1-4-8(10,5-2-7)6-3-7;/h10H,1-6,9H2;1H
InChIKey:
MHKATGTXYBTTMS-UHFFFAOYSA-N

Cite this record

CBID:293281 http://www.chembase.cn/molecule-293281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminobicyclo[2.2.2]octan-1-ol hydrochloride
IUPAC Traditional name
4-aminobicyclo[2.2.2]octan-1-ol hydrochloride
Synonyms
4-Aminobicyclo[2.2.2]octan-1-ol hydrochloride
CAS Number
1403864-74-3
PubChem SID
180678812
PubChem CID
71627037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD254271 Please log in.
Data Source Data ID
PubChem 71627037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.773243  H Acceptors
H Donor LogD (pH = 5.5) -2.9871826 
LogD (pH = 7.4) -2.6889293  Log P 0.040428035 
Molar Refractivity 39.9227 cm3 Polarizability 16.15159 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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