Home Other Heterocycles 1021-25-6
1021-25-6,MFCD00005977
Catalog No.:AA0006JU
1021-25-6 | 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0006JU
Chemical Name:
1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CAS Number:
1021-25-6
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD00005977
IUPAC Name:
1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
InChI Key:
HTQWGIHCFPWKAS-UHFFFAOYSA-N
SMILES:
O=C1NCN(C21CCNCC2)c1ccccc1
EC Number:
213-819-5
NSC Number:
96918
Properties
Computed Properties
 
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
spirodecanone 
1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one 
MFCD00005977 
AK-32678 
1-Phenyl-1,3,8-triazaspiro(4,5)decan-4-one 
1,3,8-Triazaspiro[4.5]decan-4-one,1-phenyl- 
W-204446 
1-PHENYL-1,3,8-TRIAZASPIRO-[4,5]DECAN-4-ONE 
EINECS 213-819-5 
NSC 96918 
PubChem14075 
AC1L2EC8 
1021-25-6 
AC1Q6GZ2 
AC1Q6M6S 
labotest-bb lt00847564 
MLS000080523 
SCHEMBL219618 
1-phenyl-1,3,8-triazaspiro[ 
CTK4A0701 
1-phenyl-1,3,8-triaza-spiro[ 
DTXSID00144635 
HMS2443P11 
1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one 
ZINC156951 
ACT05234 
BB_SC-00514 
BCP20803 
NSC96918 
ZX-AT020607 
ANW-45729 
BBL027552 
BDBM50044436 
NSC-96918 
Spirodecanone 
SBB027310 
STK574453 
AKOS005067461 
IMED127014337 
AB00551 
AC-6487 
AN-9970 
MCULE-5480864331 
OR13975 
RP05557 
1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl- 
AJ-13921 
AS-39092 
CC-04959 
SMR000036952 
AB0004554 
AX8040152 
ST2403494 
TC-134474 
4CH-017540 
A1791 
CHEMBL309711 
CS-0067287 
FT-0630036 
ST50308646 
X8591 
A-1935 
1-Phenyl-1,3,8-triaza-spiro[4,5]decan-4-one 
1-phenyl-1,3,8-triazaspiro [4,5]decan-4-one 
1-phenyl-1,3,8-triazaspiro-[4.5]decan-4-one 
1-phenyl-1,3,8-triazaspiro[4,5]-decan-4-one 
1-phenyl-1,3,8-triazaspiro[4.5]-decan-4-one 
1-Phenyl-1,3,8-triazaspiro[4,5]decan-4-one 
1-phenyl-1,3,8-triazaspiro[4.5]decane-4-one 
1-phenyl-4-oxo-1,3,8-triazaspiro[4,5]decane 
4-oxo-1-phenyl-1,3,8-triazaspiro[4,5]decane 
4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane 
1-phenyl -1,3,8-triaza-spiro[4.5]decan-4-one 
1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-4-ol 
4-oxo-1-phenyl-1,3,8-triazaspiro-[4.5]decane 
C-30473 
3-Phenylspiro[imidazolidine-4,4'-piperidine]-5-one 
S14-2672 
4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one 
1-PHENYL-1 pound not3 pound not8-TRIAZASPIRO[4.5]DECAN-4-ONE 
1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one, >=96.0% (HPLC) 
C13H17N3O 
CID70556 
AR-1C5168 
C13-H17-N3-O 
102616-16-0 
HTQWGIHCFPWKAS-UHFFFAOYSA-N 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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