Home Amines 1012057-52-1
1012057-52-1,MFCD16877567
Catalog No.:AA0003VC
1012057-52-1 | N4-(3-Ethynylphenyl)-7-methoxyquinazoline-4,6-diamine
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100mg
97%
in stock  
$58.00   $40.00
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250mg
97%
in stock  
$85.00   $59.00
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1g
97%
in stock  
$208.00   $145.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003VC
Chemical Name:
N4-(3-Ethynylphenyl)-7-methoxyquinazoline-4,6-diamine
CAS Number:
1012057-52-1
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
MDL Number:
MFCD16877567
IUPAC Name:
4-N-(3-ethynylphenyl)-7-methoxyquinazoline-4,6-diamine
InChI:
InChI=1S/C17H14N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h1,4-10H,18H2,2H3,(H,19,20,21)
InChI Key:
GXTDIHSVUDHDCI-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1N)Nc1cccc(c1)C#C
Properties
Computed Properties
 
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
N4-(3-ethynylphenyl)-7-methoxyquinazoline-4,6-diamine 
1012057-52-1 
DS-9211 
AK167021 
CS-0059694 
4,6-Quinazolinediamine, N4-(3-ethynylphenyl)-7-methoxy- 
N~4~-(3-Ethynylphenyl)-7-methoxyquinazoline-4,6-diamine 
ACN-046186 
N-(3-Ethynylphenyl)-7-methoxyquinazoline-4,6-diamine 
N4-(3-Ethynyl-phenyl)-7-methoxy-quinazoline-4,6-diamine 
4-n-(3-ethynylphenyl)-7-methoxyquinazoline-4,6-diamine 
SCHEMBL3422491 
DTXSID80705107 
GXTDIHSVUDHDCI-UHFFFAOYSA-N 
KS-00000IA9 
MFCD16877567 
ZINC71261187 
AKOS025287074 
Literature
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