Basic information
- CAS
4121-39-5- Standard SMILES
C=CCn1cnc2c(N)ncnc21- InChIKey
BNNFYJHXSHTFOS-UHFFFAOYSA-N- Molecular formula
- C8H9N5
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.08579531
Names & identifiers
- Preferred name
- 9H-Purin-6-amine, 9-(2-propenyl)-
- IUPAC
- 9-prop-2-enylpurin-6-amine
- English name
- NSC 77154
- Molecular formula
- C8H9N5
- Molecular weight
- 175.19
Names & synonyms
9-ALLYL-9H-PURIN-6-AMINE4121-39-59H-Purin-6-amine, 9-(2-propenyl)-NSC 771549-(2-propen-1-yl)-9H-Purin-6-amine79SW4GB7Y4NSC-77154DTXSID001941359H-PURIN-6-AMINE, 9-(2-PROPEN-1-YL)-RefChem:199289DTXCID101166269-(2-Propenyl)adenine
Show more names
Tenofovir Impurity UTenofovir Impurity 196Tenofovir Impurity 136Tenofovir 9-Allyl ImpurityTenofovir 9-Propenyl Impurity
9-prop-2-enylpurin-6-amineMFCD115058399-allylpurin-6-amine9-Allyladenin9-(allyl)adenineNSC771549-(prop-2-en-1-yl)-9H-purin-6-amineTenofovir Impurity 187
Database identifiers
- CAS
4121-39-5- PubChem CID
- 96512
- DTXSID
DTXSID00194135- UNII
- 79SW4GB7Y4
- Nikkaji
- J1.276.777C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 152 · 152-154°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- FDA UNII
- 79 SW4GB7Y4 · 79SW4GB7Y4
Chemistry & industry
Applications
Uses9-(2-Propenyl)adenine is an N-substituted purine used in the preparation of mesityl dihydroisoxazolyl homo-N-nucleosides.
Upstream & downstream products
Downstream products
Suppliers35 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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