Home > Compound List > Compound details
50910-54-8 molecular structure
click picture or here to close

(1s,4s)-4-aminocyclohexan-1-ol hydrochloride

ChemBase ID: 74466
Molecular Formular: C6H14ClNO
Molecular Mass: 151.63446
Monoisotopic Mass: 151.07639175
SMILES and InChIs

SMILES:
O[C@@H]1CC[C@@H](CC1)N.Cl
Canonical SMILES:
N[C@@H]1CC[C@@H](CC1)O.Cl
InChI:
InChI=1S/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6+;
InChIKey:
RKTQEVMZBCBOSB-KNCHESJLSA-N

Cite this record

CBID:74466 http://www.chembase.cn/molecule-74466.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1s,4s)-4-aminocyclohexan-1-ol hydrochloride
IUPAC Traditional name
(1s,4s)-4-aminocyclohexan-1-ol hydrochloride
Synonyms
cis-4-Hydroxycyclohexylamine Hydrochloride
cis-4-Aminocyclohexanol Hydrochloride
trans-1-Amino-4-hydroxycyclohexane hydrochloride
trans-4-Hydroxycyclohexylamine hydrochloride
trans-4-Aminocyclohexan-1-ol hydrochloride
CAS Number
50910-54-8
56239-26-0
MDL Number
MFCD00012566
PubChem SID
162039385
PubChem CID
522619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 522619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.25663  H Acceptors
H Donor LogD (pH = 5.5) -3.2356453 
LogD (pH = 7.4) -2.7809699  Log P -0.21290687 
Molar Refractivity 32.6025 cm3 Polarizability 13.196873 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
225-227°C expand Show data source
Storage Warning
Irritant/Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A603695 external link
cis-4-Aminocyclohexanol used in the preparation of potential hypertensive agents and other biologically active compounds.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chan, K.L. et al.: As. J. Pharmacol. Sci., 1, 91 (1979)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle