Basic information
- CAS
56065-35-1- Standard SMILES
CCCC(CCC)(CCC)N=C=O- InChIKey
GXJWKOQDAJVDKL-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- 1,1-Dipropylbutyl isocyanate
- IUPAC
- 4-isocyanato-4-propylheptane
- English name
- 1,1-dipropylbutyl isocyanate
- Molecular formula
- C11H21NO
- Molecular weight
- 183.29
Names & synonyms
1,1-Dipropylbutyl isocyanate56065-35-14-isocyanato-4-propylheptane1,1-di-n-propyl-n-butylisocyanateEINECS 259-976-3SCHEMBL11407031DTXSID50204612NS00033453Heptane, 4-isocyanato-4-propyl-
Database identifiers
- CAS
56065-35-1- PubChem CID
- 92004
- DTXSID
DTXSID50204612- EC Number
- 259-976-3
- Nikkaji
- J296.560G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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