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1000018-26-7,MFCD09864844
Catalog No.:AA000069
1000018-26-7 | Carbamic acid, N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)-, methyl ester
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1mg
>95%
3 weeks  
$150.00
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5mg
>95%
3 weeks  
$162.00
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10mg
>95%
3 weeks  
$185.00
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500mg
>95%
3 weeks  
$209.00
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1g
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3 weeks  
$249.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000069
Chemical Name:
Carbamic acid, N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)-, methyl ester
CAS Number:
1000018-26-7
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
MDL Number:
MFCD09864844
IUPAC Name:
methyl N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)carbamate
InChI:
InChI=1S/C16H23NO3/c1-11(2)14(18)16(3,4)13(17-15(19)20-5)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19)
InChI Key:
JYMRVVBXWDNNKU-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(C(=O)C(C)C)(C)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
1000018-26-7 
Methyl (2,2,4-trimethyl-3-oxo-1-phenylpentyl)carbamate 
methyltrimethyloxophenylpentylcarbamate 
MFCD09864844 
AKOS005073764 
OR15506 
RP15360 
RTR-065373 
SS-2640 
AX8201980 
TR-065373 
J-521701 
Methyl N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)-carbamate 
Methyl N-(2,2,4-trimethyl-3-oxo-1-phenylpent-1-yl)carbamate 
C16H23NO3 
CID9970733 
Methyl(2,2,4-trimethyl-3-oxo-1-phenylpentyl)carbamate 
Methyl N-(2,2,4-trimethyl-3-oxo-1-phenyl-pentyl)carbamate 
methyl N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)carbamate 
CTK6J2896 
KS-00002AYE 
DTXSID60433496 
ZX-AT012651 
0007AA 
ANW-55134 
Literature
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