Basic information
- CAS
57246-71-6- Standard SMILES
CCCCC(=N)OC- InChIKey
DIFSGQKADHEBAI-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- Methyl pentanimidate
- IUPAC
- methyl pentanimidate
- English name
- Methyl Pentanimidate
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
methyl pentanimidate57246-71-6DTXSID80420883RefChem:356824DTXCID20371729methyl pentanimidoatepentanimidic acid methyl estermethylpentanimidateLosartan Impurity 591-methoxy-pentylidene-amineSCHEMBL7221289METHYL PENTANECARBOXIMIDATE
Show more names
DIFSGQKADHEBAI-UHFFFAOYSA-NAKOS017405242
Database identifiers
- CAS
57246-71-6- PubChem CID
- 5743466
- DTXSID
DTXSID80420883- Nikkaji
- J264.811C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
Physicochemical properties
- Boiling point
- 114.4 · 114.4±23.0 °C(Predicted)
- Density
- 0.88 · 0.88±0.1 g/cm3(Predicted)
- pka
- 8.08 · 8.08±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
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]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
14 records
Compound notes
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