Basic information
- CAS
94113-77-6- Standard SMILES
CCCCOP(=O)(O)O.COCCCN- InChIKey
BIQGMMVVEHFKFI-UHFFFAOYSA-N- Molecular formula
- C8H22NO5P
- Average molar mass
- 243.24 g/mol
- Monoisotopic mass
- 243.1235598
Names & identifiers
- Preferred name
- 2786BM3Hfj
- IUPAC
- butyl dihydrogen phosphate;3-methoxypropan-1-amine
Names & synonyms
2786BM3HFJEINECS 302-611-0Butyl dihydrogen phosphate, compound with 3-methoxypropylamine94113-77-6UNII-2786BM3HFJDTXSID70240653NS00092036Butyl dihydrogen phosphate--3-methoxypropan-1-amine (1/1)BUTYL DIHYDROGEN PHOSPHATE;3-METHOXYPROPAN-1-AMINE
Database identifiers
- CAS
94113-77-6- PubChem CID
- 44147014
- DTXSID
DTXSID70240653- UNII
- 2786BM3HFJ
- EC Number
- 302-611-0
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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