Home > Compound List > Compound details
35211-10-0 molecular structure
click picture or here to close

2-amino-2-(2-chlorophenyl)cyclohexan-1-one

ChemBase ID: 175662
Molecular Formular: C12H14ClNO
Molecular Mass: 223.69866
Monoisotopic Mass: 223.07639175
SMILES and InChIs

SMILES:
C1CCCC(C1=O)(c1ccccc1Cl)N
Canonical SMILES:
O=C1CCCCC1(N)c1ccccc1Cl
InChI:
InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2
InChIKey:
BEQZHFIKTBVCAU-UHFFFAOYSA-N

Cite this record

CBID:175662 http://www.chembase.cn/molecule-175662.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(2-chlorophenyl)cyclohexan-1-one
IUPAC Traditional name
2-amino-2-(2-chlorophenyl)cyclohexan-1-one
Synonyms
2-Amino-2-(2-chlorophenyl)cyclohexanone
(+/-)-Norketamine
2-(o-Chlorophenyl)-2-aminocyclohexanone
2-Amino-2-(o-chlorophenyl)cyclohexanone
N-Demethylketamine
Norketamine
CAS Number
35211-10-0
PubChem SID
164231572
PubChem CID
123767

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N692050 external link Add to cart
PubChem 123767 external link
Data Source Data ID Price
TRC
N692050 external link Add to cart Please log in.
Data Source Data ID
PubChem 123767 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.744236  H Acceptors
H Donor LogD (pH = 5.5) 0.96668905 
LogD (pH = 7.4) 2.5721366  Log P 2.9147222 
Molar Refractivity 60.7792 cm3 Polarizability 24.108206 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Brown Oil expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N692050 external link
A metabolite of Ketamine (K165300).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sullivan, H., et al.: J. Med. Chem., 16, 909 (1973)
  • • Moreton, J., et al.: J. Pharmacol. Exp. Ther., 203, 303 (1973)
  • • Lin, H., et al.: J. Food Drug Anal., 13, 107 (1973)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle