Basic information
- CAS
20776-34-5- Standard SMILES
CC(CO)n1cnc2c(N)ncnc21- InChIKey
NMBLSWKTQBVMBR-UHFFFAOYSA-N- Molecular formula
- C8H11N5O
- Average molar mass
- 193.21 g/mol
Names & identifiers
- Preferred name
- 2-(6-Aminopurin-9-yl)propan-1-ol
- IUPAC
- 2-(6-aminopurin-9-yl)propan-1-ol
- English name
- 9H-Purine-9-ethanol, 6-amino-β-methyl-
- Molecular formula
- C8H11N5O
- Molecular weight
- 193.21
Names & synonyms
20776-34-52-(6-aminopurin-9-yl)propan-1-ol2-(6-Amino-9H-purin-9-yl)propan-1-olSCHEMBL112517586Amino-(1-propanol-2-yl)-purine6-Amino-9-(1-hydroxy-2-propyl)purineCS-01645572-(6-amino-9H-purin-9-yl)propan-1-ol? (Tenofovir Impurity pound(c)Tenofovir Impurity 192Tenofovir Impurity 1419H-Purine-9-ethanol, 6-amino-β-methyl-Halothane Impurity 1 (Halothane EP Impurity A)
Database identifiers
- CAS
20776-34-5- Nikkaji
- J475.122A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 448.5 · 448.5±55.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 14.41 · 14.41±0.10(Predicted)
Chemistry & industry
Suppliers11 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
江苏万思普科技有限公司17826022701 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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