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7236-47-7,MFCD00059860
Catalog No.:AA003IVM
7236-47-7 | 3-Benzylidene-n-butyramide
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5g
>98.0%(GC)
1 week  
$572.00   $401.00
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Technical Information
Catalog Number:
AA003IVM
Chemical Name:
3-Benzylidene-n-butyramide
CAS Number:
7236-47-7
MDL Number:
MFCD00059860
IUPAC Name:
(E)-3-methyl-4-phenylbut-3-enamide
InChI:
InChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)/b9-7+
InChI Key:
KAJZGRFYZKWYDX-VQHVLOKHSA-N
EC Number:
230-637-1
UNII:
NCL11JK5LF
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-methyl-4-phenyl-3-butenamide 
beta-benzalbutyramide 
NCL11JK5LF 
(E)-3-methyl-4-phenyl-3-butenamide 
benzalamide 
beta-benzalbutyramide, e- 
3-Butenamide, 3-methyl-4-phenyl- 
3-Benzylidenebutyramide 
AC1NSX9E 
.beta.-Benzal-n-butyramide 
SCHEMBL309268 
CHEBI:134810 
beta-benzalbutyramide, (E)-isomer 
KAJZGRFYZKWYDX-VQHVLOKHSA-N 
3-Butenamide,3-methyl-4-phenyl- 
MFCD00059860 
ZINC33844914 
AKOS025295661 
trans-3-methyl-4-phenyl-3-butenamide 
FCH1197926 
FCH3684886 
VZ26369 
(E)-3-methyl-4-phenyl-but-3-enamide 
Kata-Lipid 
26121-47-1 
(3E)-3-Methyl-4-phenyl-3-butenamide # 
TC-124940 
B0892 
A837507 
C-06032 
lipidemol 
lipobeta 
UNII-500AC5XYXO 
C11H13NO 
3-Benzylidene-N-butyramide 
C11-H13-N-O 
EINECS 230-637-1 
3-METHYL-4-PHENYL-3-BUTENAMIDE 
(E)-3-methyl-4-phenylbut-3-enamide 
CID5371849 
7236-47-7 
UNII-NCL11JK5LF 
beta-Benzalbutyramide 
3-BENZAL-N-BUTYRAMIDE 
3-Benzalbutyramide 
Literature
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