Basic information
- CAS
6943-47-1- Standard SMILES
C/C=C\C=NC(C)(C)C- InChIKey
ORPGAOYOWYKKCL-UHFFFAOYSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- (Z)-N-tert-butylbut-2-en-1-imine
- IUPAC
- (Z)-N-tert-butylbut-2-en-1-imine
- English name
- N-tert-Butylcrotonaldimine
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
NSC534266943-47-1DTXSID60418086NSC-53426(1E,2Z)-N-tert-Butylbut-2-en-1-imineN-tert-Butylcrotonaldimine
Database identifiers
- CAS
6943-47-1- PubChem CID
- 5356232
- DTXSID
DTXSID60418086
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 222.71 °C · 222.71°C (rough estimate)
- Density
- 0.8458 · 0.8458 (rough estimate)
- refractive index
- 1.4515 · 1.4515-1.4535
- storage temp.
- 0 · 0-6°C
- pka
- 7.04 · 7.040±0.50(predicted)
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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