Basic information
- CAS
602262-06-6- Standard SMILES
[C-]#[N+]CCCOCCCC- InChIKey
WITMFOURWMAKTG-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 1-(3-Isocyanopropoxy)butane
- IUPAC
- 1-(3-isocyanopropoxy)butane
- English name
- 3-Butoxyprop-1-ylisocyanide
- Molecular formula
- C8H15NO
- Molecular weight
- 0
Names & synonyms
1-(3-isocyanopropoxy)butane602262-06-63-Butoxyprop-1-ylisocyanide3-PhenoxyphenylisocyanideSCHEMBL29952470DTXSID20408504AKOS006278559
Database identifiers
- CAS
602262-06-6- PubChem CID
- 5116885
- DTXSID
DTXSID20408504
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 13.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Chemistry & industry
Suppliers1 total
Fluorochem Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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