Basic information
- CAS
20289-44-5- Standard SMILES
NC1N=CN=C2N=NC=C21- InChIKey
VAOHIJMLMILFFA-UHFFFAOYSA-N- Molecular formula
- C5H5N5
- Average molar mass
- 135.13 g/mol
- Monoisotopic mass
- 135.05449518
Names & identifiers
- Preferred name
- 4H-Pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 4H-pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE
- Molecular formula
- C5H5N5
- Molecular weight
- 135.13
Names & synonyms
4H-Pyrazolo[3,4-d]pyrimidin-4-amine4H-Pyrazolo(3,4-d)pyrimidin-4-amineEINECS 243-691-6DTXSID70864934RefChem:100703DTXCID8081339720289-44-5Theophylline Impurity 4SCHEMBL19327440VAOHIJMLMILFFA-UHFFFAOYSA-NMFCD02730137AKOS015950695
Show more names
TIMTEC-BB SBB0042054-AMINOPYRAZOLO[3,4-7-Deaza-8-aza-adenineADENINE ANTIMETABOLITEAminopyrazolodpyrimidine7H-pyrazolo[3,4-d]pyriMidin-4-aMine4-Aminopyrazolo3,4-düpyrimidine, 98%4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
4-AMINOPYRAZOLE-(3,4-D-)PYRIMIDINE4-hydropyrazolo[3,4-d]pyrimidine-4-ylamineCS-0370623NS00125892ST51038540F79548
Database identifiers
- CAS
20289-44-5- PubChem CID
- 89308
- DTXSID
DTXSID70864934- Nikkaji
- J280.513H
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 325 °C · >325 °C(lit.)
- Boiling point
- 299.5 · 299.5±50.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 7.32 · 7.32±0.20(Predicted)
- CAS DataBase Reference
- 20289 · 20289-44-5(CAS DataBase Reference)
- EPA Substance Registry System
- 4 H-Pyrazolo[3,4-d]pyrimidin-4-amine · 4H-Pyrazolo[3,4-d]pyrimidin-4-amine (20289-44-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H331-H301-H315-H335-H319
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- T
- Risk Statements
- 25 · 25-36/37/38-23/24/25
- Safety Statements
- 26 · 26-36/37/39-45-22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UR0717000
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 25-36/37/38-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45-22
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H311-H331-H301-H315-H335-H319
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-Pyrazolo[3,4-d]pyrimidin-4-amine: INACTIVE
Suppliers59 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
武汉裕清嘉衡药业有限公司027-83850128 18207128853 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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