Basic information
- CAS
627-36-1- Standard SMILES
[C-]#[N+]CCC- InChIKey
FFDKYFGBIQQMSR-UHFFFAOYSA-N- Molecular formula
- C4H7N
- Average molar mass
- 69.11 g/mol
- Monoisotopic mass
- 69.05784923
Names & identifiers
- Preferred name
- Propane, 1-isocyano-
- IUPAC
- 1-isocyanopropane
- English name
- propyl isocyanide
- Molecular weight
- 0
Names & synonyms
1-isocyanopropaneN-Propyl IsocyanidePropyl isocyanide627-36-1Propane, 1-isocyano-5E1K8OTJ0CDTXSID10211761RefChem:164152DTXCID40134252NPNPropylisocyanidUNII-5E1K8OTJ0C
Show more names
2-Azonia-1-pentyne-1-ide
Cyclopropylamine Impurity 5SCHEMBL574642SCHEMBL574643SCHEMBL3435432EBC-48214AKOS006308790DB04050GS-0357
Database identifiers
- CAS
627-36-1- PubChem CID
- 79084
- DTXSID
DTXSID10211761- UNII
- 5E1K8OTJ0C
- Nikkaji
- J108.674J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.9
Physicochemical properties
- Boiling point
- 117.85 °C · 117.85°C (estimate)
- Density
- 0.7526 · 0.7526
- refractive index
- 1.3805 · 1.3805
- FDA UNII
- 5 E1K8OTJ0C · 5E1K8OTJ0C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [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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