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25475-67-6,MFCD00102190
Catalog No.:AA00BCVU

25475-67-6 | Isoquinolin-3-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$8.00   $6.00
- +
1g
97%
in stock  
$14.00   $10.00
- +
25g
97%
in stock  
$289.00   $203.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BCVU
Chemical Name:
Isoquinolin-3-amine
CAS Number:
25475-67-6
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00102190
SMILES:
Nc1ncc2c(c1)cccc2
NSC Number:
218383
Properties
Properties
 
BP:
331.2°C at 760 mmHg  
Form:
Solid  
MP:
154-156°C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
136  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Patent:WO2009/103966,2009,A1,.Locationinpatent:Page/Pagecolumn93-94

[1]JournalofOrganicChemistry,1956,vol.21,p.1297

[1]Tetrahedron,1995,vol.51,#45,p.12439-12444

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

[2]JournalofOrganicChemistry,2009,vol.74,#3,p.1171-1178

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

[2]JournalofOrganicChemistry,2009,vol.74,p.1171-1178

[1]JournalofOrganicChemistry,1986,vol.51,p.2988-2994

[1]Tetrahedron,1986,vol.42,p.5415-5426

[1]JournalfurpraktischeChemie(Leipzig1954),1983,vol.325,p.353-358

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.239-240

Literature

Title: Interconversion of nitrenes, azirenes, and diradicals: rearrangement of 3-isoquinolylnitrene to o-cyanophenylketenimine and 1-cyanoisoindole.

Journal: The Journal of organic chemistry 20090206

Title: Carbene and nitrene rearrangements: a theoretical study of cyclic allenes and carbenes, carbodiimides, and azirines.

Journal: The Journal of organic chemistry 20021213

Quotation Request
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SDS
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Tags:25475-67-6 Molecular Formula|25475-67-6 MDL|25475-67-6 SMILES|25475-67-6 Isoquinolin-3-amine
Catalog No.: AA00BCVU
25475-67-6,MFCD00102190
25475-67-6 | Isoquinolin-3-amine
Pack Size： 250mg
Purity： 97%
in stock
$8.00 $6.00
Pack Size： 1g
Purity： 97%
in stock
$14.00 $10.00
Pack Size： 25g
Purity： 97%
in stock
$289.00 $203.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BCVU
Chemical Name: Isoquinolin-3-amine
CAS Number: 25475-67-6
Molecular Formula: C9H8N2
Molecular Weight: 144.1732
MDL Number: MFCD00102190
SMILES: Nc1ncc2c(c1)cccc2
NSC Number: 218383
Properties
BP: 331.2°C at 760 mmHg  
Form: Solid  
MP: 154-156°C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 136  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Upstream Synthesis Route
25475-67-6    19493-45-9 

[1]Patent:WO2009/103966,2009,A1,.Locationinpatent:Page/Pagecolumn93-94

25475-67-6    7651-81-2 

[1]JournalofOrganicChemistry,1956,vol.21,p.1297

135737-14-3    25475-67-6 

[1]Tetrahedron,1995,vol.51,#45,p.12439-12444

50458-77-0    25475-67-6 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

[2]JournalofOrganicChemistry,2009,vol.74,#3,p.1171-1178

6624-49-3    25475-67-6 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

Downstream Synthesis Route
50458-77-0    25475-67-6 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.688

[2]JournalofOrganicChemistry,2009,vol.74,p.1171-1178

25475-67-6    123-06-8    102781-28-2 

[1]JournalofOrganicChemistry,1986,vol.51,p.2988-2994

25475-67-6    673-40-5    109000-42-2 

[1]Tetrahedron,1986,vol.42,p.5415-5426

25475-67-6    83548-91-8    87637-14-7 

[1]JournalfurpraktischeChemie(Leipzig1954),1983,vol.325,p.353-358

25475-67-6    83939-28-0 

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.239-240

Literature fold

Title: Interconversion of nitrenes, azirenes, and diradicals: rearrangement of 3-isoquinolylnitrene to o-cyanophenylketenimine and 1-cyanoisoindole.

Journal: The Journal of organic chemistry20090206

Title: Carbene and nitrene rearrangements: a theoretical study of cyclic allenes and carbenes, carbodiimides, and azirines.

Journal: The Journal of organic chemistry20021213

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