Home Amines 873-95-0
873-95-0,MFCD00045531
Catalog No.:AA003ITE
873-95-0 | 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$43.00   $30.00
- +
5g
97%
in stock  
$172.00   $120.00
- +
10g
97%
in stock  
$286.00   $200.00
- +
25g
97%
in stock  
$635.00   $445.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ITE
Chemical Name:
3-Amino-5,5-dimethyl-2-cyclohexen-1-one
CAS Number:
873-95-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD00045531
IUPAC Name:
3-amino-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5,9H2,1-2H3
InChI Key:
MTZNODTZOSBYJW-UHFFFAOYSA-N
SMILES:
NC1=CC(=O)CC(C1)(C)C
NSC Number:
176345
Properties
Computed Properties
 
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
873-95-0 
3-Amino-5,5-dimethyl-2-cyclohexen-1-one 
Oprea1_593220 
SCHEMBL111923 
AC1L391V 
CHEMBL1958268 
CTK3E9056 
DTXSID70236278 
MTZNODTZOSBYJW-UHFFFAOYSA-N 
HMS1788H01 
ANW-38695 
BBL009376 
3-amino-5,5-dimethylcyclohex-2-enone 
MFCD00045531 
SBB082967 
STK727367 
ZINC15980693 
AKOS001115947 
MCULE-4783504703 
NE55341 
NSC-176345 
VZ26305 
1-amino- 5,5-dimethylcyclohexen-3-one 
3-amino-5,5-dimethylcyclohex-2-en-1-one 
1-Amino-5,5-dimethylcyclohexene-3-one 
KS-0000152U 
2-Cyclohexenone,3-amino,5,5-dimethyl- 
3-Amino-5,5-dimethyl-cyclohex-2-enone 
1-amino- 5,5-dimethyl-cyclohexen-3-one 
AJ-68056 
SC-13256 
DB-022231 
TR-027351 
3-amino-5,5-dimethyl-2-cyclohexen- 1-one 
2-Cyclohexenone, 3-amino-5,5-dimethyl- 
A1300 
FT-0614997 
ST50984718 
3-AMINO 5,5-DIMETHYL-CYLCOHEX-2-ENONE 
A10400 
Z57154079 
CID136680 
5,5-Dimethyl-3-aminocyclohex-2-enone 
3-Amino-5,5-dimethyl-2-cyclohexene-1-one 
NSC176345 
PubChem14457 
ACMC-209qk9 
Literature

Title: Enaminones 12. An explanation of anticonvulsant activity and toxicity per Linus Pauling's clathrate hypothesis.

Journal: European journal of medicinal chemistry 20120501

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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