Home Amines 101937-44-4
101937-44-4,MFCD00173358
Catalog No.:AA0005XR
101937-44-4 | Diethyl 2-(((4-bromophenyl)amino)methylene)malonate
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100mg
95%
in stock  
$94.00   $66.00
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250mg
95%
in stock  
$170.00   $119.00
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1g
95%
in stock  
$339.00   $238.00
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5g
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$1,017.00   $712.00
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Technical Information
Catalog Number:
AA0005XR
Chemical Name:
Diethyl 2-(((4-bromophenyl)amino)methylene)malonate
CAS Number:
101937-44-4
Molecular Formula:
C14H16BrNO4
Molecular Weight:
342.1851
MDL Number:
MFCD00173358
IUPAC Name:
diethyl 2-[(4-bromoanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16BrNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,16H,3-4H2,1-2H3
InChI Key:
CZRWKFPNRGCSND-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccc(cc1)Br)C(=O)OCC
Properties
Computed Properties
 
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.026g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
342.189g/mol
Monoisotopic Mass:
341.026g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
101937-44-4 
diethyl 2-(((4-bromophenyl)amino)methylene)malonate 
ACMC-20m4y0 
SCHEMBL401881 
CTK4A0442 
KS-00001DYW 
CZRWKFPNRGCSND-UHFFFAOYSA-N 
CS-M0116 
SMSF0004212 
ZINC1807582 
ZX-RL001570 
7497AC 
diethyl 2-((4-bromophenylamino)methylene)malonate 
7498AC 
MFCD00173358 
STK029345 
AKOS002262609 
Propanedioic acid, 2-[[(4-bromophenyl)amino]methylene]-, 1,3-diethyl ester 
CB03594 
MCULE-3035219189 
AJ-31724 
AK-55351 
CJ-29932 
diethyl 2-[(4-bromoanilino)methylene]malonate 
OR110666 
BIM-0013254.P001 
FT-0604746 
ST24046530 
ST50187330 
5J-048 
diethyl2-((4-bromophenylamino)methylene)malonate 
SR-01000197875 
diethyl 2-[(4-bromoanilino)methylidene]propanedioate 
SR-01000197875-1 
C14H16BrNO4 
diethyl {[(4-bromophenyl)amino]methylidene}propanedioate 
F3095-2076 
(4-BROMOANILINOMETHYLENE)MALONIC ACID DIETHYL ESTER 
2-[(4-Bromophenylamino)methylene]malonic acid diethyl ester 
diethyl 2-[[(4-bromophenyl)amino]methylidene]propanedioate 
1,3-diethyl 2-{[(4-bromophenyl)amino]methylidene}propanedioate 
2-[(4-bromo-phenylamino)-methylene]-malonic acid diethyl ester 
2-[(4-bromo-phenylamino)methylene]malonic acid diethyl ester 
2-{[(4-Chlorophenyl)amino]-carbonyl}cyclohexanecarboxylic acid 
diethyl 2-{[(4-bromophenyl)amino]methylene}propane-1,3-dioate 
Diethyl {[(4-bromophenyl)amino]methylene}malonate 
5185-36-4 
C14H16ClNO3 
ZINC01807582 
ACN-052806 
CID1591151 
101937-67-1 
AF-753/00286053 
Propanedioic acid,2-[[(4-bromophenyl)amino]methylene]-, 1,3-diethyl ester 
AC1LUVIM 
CBMicro_013288 
Literature
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