Basic information
- CAS
1189-80-6- Standard SMILES
C#CC(C)(C)NC(C)(C)C.Cl- InChIKey
IVMFGZOVVOHYPE-UHFFFAOYSA-N- Molecular formula
- C9H18ClN
- Average molar mass
- 175.7 g/mol
- Monoisotopic mass
- 175.1127773
Names & identifiers
- Preferred name
- 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride
- IUPAC
- N-tert-butyl-2-methylbut-3-yn-2-amine;hydrochloride
Names & synonyms
1189-80-63-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochlorideRefChem:10675163-tert-Butylamino-3-methyl-1-butyne hydrochlorideDTXSID90922808tert-Butylamine, N-(2-methylbut-3-yn-2-yl)-, hydrochlorideN-tert-Butyl-2-methylbut-3-yn-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
1189-80-6- PubChem CID
- 70919
- DTXSID
DTXSID90922808
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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