Home Amines 5220-49-5
5220-49-5,MFCD00013783
Catalog No.:AA003IRO
5220-49-5 | 3-Amino-2-cyclohexen-1-one
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1g
97%
in stock  
$15.00   $10.00
- +
5g
97%
in stock  
$29.00   $20.00
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25g
98%
in stock  
$66.00   $46.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IRO
Chemical Name:
3-Amino-2-cyclohexen-1-one
CAS Number:
5220-49-5
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD00013783
IUPAC Name:
3-aminocyclohex-2-en-1-one
InChI:
InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
InChI Key:
ZZMRPOAHZITKBV-UHFFFAOYSA-N
SMILES:
NC1=CC(=O)CCC1
EC Number:
226-014-9
UNII:
V596547ZKE
NSC Number:
106700
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
3-Amino-2-cyclohexen-1-one 
5220-49-5 
MFCD00013783 
3-Amino-2-cyclohexen-1-one, 95% 
EINECS 226-014-9 
3-Aminocyclohexenone 
NSC106700 
3-aminocyclohex-enone 
PubChem14449 
ACMC-209kyd 
1-amino-cyclohexen-3-one 
3-Amino-cyclohex-2-enone 
3-aminocyclohex-2-enone 
AC1L2W6S 
1-amino- cyclohexen-3-one 
KSC495Q9B 
1-Aminocyclohex-1-en-3-one 
SCHEMBL355337 
3-amino-2-cyclohexene-1-one 
1-Amino-3-oxocyclohex-1-ene 
AC1Q51K8 
CHEMBL443918 
CTK3J5890 
3-Aminocyclohex-2-en-1-one 
KS-00000KVW 
DTXSID40200244 
HMS1763A08 
BCP19985 
STR05393 
ANW-31427 
GEO-00109 
SBB028190 
STK336070 
ZINC18200963 
2-Cyclohexen-1-one, 3-amino- 
3-Amino-2-cyclohexen-1-one, 99% 
AKOS000280641 
MCULE-3362548403 
NSC-106700 
RP00527 
RTC-069761 
TRA0042155 
VZ26253 
AJ-70464 
AK-49851 
UNII-V596547ZKE 
BR-49851 
CJ-15861 
EN002351 
L472 
SC-18537 
AB0014724 
DB-022193 
ST2404906 
TC-069761 
TL8003446 
3-amino-2-cyclohexen-1-ketone 
CS-0032855 
FT-0083426 
FT-0614931 
ST50410742 
EN300-17259 
S-1945 
1R-1064 
I05-0314 
J-511685 
Z56899207 
3-Amino-2-cyclohexenone 
C6H9NO 
3-Amino-2-cyclohexane-1-one 
C6-H9-N-O 
ACN-S004792 
CID78892 
A1936 
3-Amino-2-cyclohexen-1-one, 98% - 5G 5g 
A20652 
ZZMRPOAHZITKBV-UHFFFAOYSA-N 
V596547ZKE 
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

Title: Enaminones 8: CoMFA and CoMSIA studies on some anticonvulsant enaminones.

Journal: Bioorganic & medicinal chemistry 20090101

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