4-Amino-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Name: 4-Amino-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
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CAS No. 6826-96-6
Cat. No. CS-0068197
Molecule weight160.14
Purity≥98%
MDL No.MFCD06661800

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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4-Amino-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile|CS-0068197

Structure of 6826-96-6

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General Information

CAS No. 6826-96-6
Cat. No. CS-0068197
Purity ≥98%
MDL No. MFCD06661800
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄N₆
Molecular Weight 160.14
Synonym(s) 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 4-amino-
SMILES N#CC1=NNC2=NC=NC(N)=C21

Synthesis

Route1
- 90167-35-4
- ~83%
- 6826-96-6
References
- Bulychev, Yu. N.; Korbukh, I. A.; Preobrazhenskaya, M. N.; Chernyshov, A. I.; Esipov, S. E. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 2 p. 215 - 221 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , vol. 20, # 2 p. 259 - 264
Route2
- 54385-49-8
- ~%
- 6826-96-6
References
- Bulychev, Yu. N.; Korbukh, I. A.; Preobrazhenskaya, M. N.; Chernyshov, A. I.; Esipov, S. E. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 2 p. 215 - 221 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , vol. 20, # 2 p. 259 - 264

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 104.27
LogP -0.19322
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Amino-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

CAS No. 6826-96-6

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General Information

Synthesis

References