Aniline, N-(3-methyl-1-pentyn-3-yl)-
Basic information
- CAS
14465-46-4- Standard SMILES
C#CC(C)(CC)Nc1ccccc1- InChIKey
CRZWDGUMTCNDOV-UHFFFAOYSA-N- Molecular formula
- C12H15N
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.12044948
Names & identifiers
- Preferred name
- Aniline, N-(3-methyl-1-pentyn-3-yl)-
- IUPAC
- N-(3-methylpent-1-yn-3-yl)aniline
Names & synonyms
14465-46-4ANILINE, N-(3-METHYL-1-PENTYN-3-YL)-RefChem:10770113-Anilino-3-methyl-1-pentyneBRN 2803112N-(3-methylpent-1-yn-3-yl)anilineDTXSID00932372
Database identifiers
- CAS
14465-46-4- PubChem CID
- 26702
- DTXSID
DTXSID00932372
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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