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65695-05-8,MFCD08689689
Catalog No.:AA00FC3N

65695-05-8 | Methyl 4-(n-hydroxycarbamimidoyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$12.00   $8.00
- +
1g
97%
in stock  
$29.00   $20.00
- +
5g
97%
in stock  
$96.00   $68.00
- +
25g
97%
in stock  
$287.00   $201.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FC3N
Chemical Name:
Methyl 4-(n-hydroxycarbamimidoyl)benzoate
CAS Number:
65695-05-8
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD08689689
SMILES:
COC(=O)c1ccc(cc1)C(=N)NO
Properties
Properties
 
BP:
381.5°C at 760 mmHg  
Form:
Solid  
MP:
172-174°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Upstream Synthesis Route

[1]Patent:WO2017/220446,2017,A1,.Locationinpatent:Page/Pagecolumn26

[2]JournalofLabelledCompoundsandRadiopharmaceuticals,2012,vol.55,#2,p.71-79

[3]OrganicLetters,2017,vol.19,#11,p.2885-2888

[1]Patent:US2003/45546,2003,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2004,vol.47,p.6662-6665

[1]Patent:US2003/45546,2003,A1

[1]Patent:US2003/45546,2003,A1

[1]Locationinpatent:experimentalpartLiu,Kun;Lu,Hong;Hou,Ling;Qi,Zhi;Teixeira,Cátia;Barbault,Florent;Fan,Bo-Tao;Liu,Shuwen;Jiang,Shibo;Xie,Lan[JournalofMedicinalChemistry,2008,vol.51,#24,p.7843-7854]

Literature
Quotation Request
Company Name:
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Contact Person:
*
Email:
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Quantity Required:
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Country:
Additional Info:
Submit
SDS
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Tags:65695-05-8 Molecular Formula|65695-05-8 MDL|65695-05-8 SMILES|65695-05-8 Methyl 4-(n-hydroxycarbamimidoyl)benzoate
Catalog No.: AA00FC3N
65695-05-8,MFCD08689689
65695-05-8 | Methyl 4-(n-hydroxycarbamimidoyl)benzoate
Pack Size： 250mg
Purity： 97%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 97%
in stock
$29.00 $20.00
Pack Size： 5g
Purity： 97%
in stock
$96.00 $68.00
Pack Size： 25g
Purity： 97%
in stock
$287.00 $201.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FC3N
Chemical Name: Methyl 4-(n-hydroxycarbamimidoyl)benzoate
CAS Number: 65695-05-8
Molecular Formula: C9H10N2O3
Molecular Weight: 194.1873
MDL Number: MFCD08689689
SMILES: COC(=O)c1ccc(cc1)C(=N)NO
Properties
BP: 381.5°C at 760 mmHg  
Form: Solid  
MP: 172-174°C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 232  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Upstream Synthesis Route
1129-35-7    65695-05-8 

[1]Patent:WO2017/220446,2017,A1,.Locationinpatent:Page/Pagecolumn26

[2]JournalofLabelledCompoundsandRadiopharmaceuticals,2012,vol.55,#2,p.71-79

[3]OrganicLetters,2017,vol.19,#11,p.2885-2888

1443-80-7    65695-05-8 

[1]Patent:US2003/45546,2003,A1,

Downstream Synthesis Route
65695-05-8    208108-75-2    569685-49-0 

[1]JournalofMedicinalChemistry,2004,vol.47,p.6662-6665

1443-80-7    65695-05-8 

[1]Patent:US2003/45546,2003,A1

65695-05-8    86427-02-3    478489-13-3 

[1]Patent:US2003/45546,2003,A1

79-04-9    65695-05-8    1092400-75-3 

[1]Locationinpatent:experimentalpartLiu,Kun;Lu,Hong;Hou,Ling;Qi,Zhi;Teixeira,Cátia;Barbault,Florent;Fan,Bo-Tao;Liu,Shuwen;Jiang,Shibo;Xie,Lan[JournalofMedicinalChemistry,2008,vol.51,#24,p.7843-7854]

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