Basic information
- CAS
121188-32-7- Standard SMILES
CC(C)(N)C#CC=O- InChIKey
ZMAIVKIYUIAWSA-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 4-Amino-4-methyl-2-pentyne-1-al
- IUPAC
- 4-amino-4-methylpent-2-ynal
- English name
- 4-amino-4-methyl-2-pentyne-1-al
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
4-Amino-4-methyl-2-pentyne-1-alAMPAL121188-32-7DTXSID90153175RefChem:97775DTXCID90756664-amino-4-methylpent-2-ynalSCHEMBL80478142-Pentynal, 4-amino-4-methyl-AKOS006347751
Database identifiers
- CAS
121188-32-7- PubChem CID
- 129385
- DTXSID
DTXSID90153175- Nikkaji
- J326.080A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 190.4 · 190.4±23.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.25(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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