| CAS Number | 330794-31-5 |
| Catalog Number | AG00CMHW(AGN-PC-03OE79) |
| Chemical Name | 1-Cyclopentyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| IUPAC Name | 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14) |
| InChI Key | KNIKEMBOLNWAAC-UHFFFAOYSA-N |
| MDL Number | MFCD26743438 |
| Molecular Formula | C10H12IN5 |
| Molecular Weight | 329.1402 |
| SMILES | NC1=C2C(N(C3CCCC3)N=C2I)=NC=N1 |
| Synonyms | 1-cyclopentyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
330794-31-5,
AK126900,
SCHEMBL1318717,
DTXSID10625081,
KNIKEMBOLNWAAC-UHFFFAOYSA-N,
ZINC38540430,
AJ-96417,
EN000400,
AX8248691,
CS-0060788,
1-CYCLOPENTYL-3-IODOPYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.145g/mol |
| Monoisotopic Mass | 329.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number