Basic information
- CAS
40415-97-2- Standard SMILES
CCC(C)(C#CC[NH+](CCCl)CCCl)OC.[Cl-]- InChIKey
LXEQYBICHMSASZ-UHFFFAOYSA-N- Molecular formula
- C12H22Cl3NO
- Average molar mass
- 302.7 g/mol
- Monoisotopic mass
- 301.076697
Names & identifiers
- Preferred name
- 2-Hexyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-(4-methoxy-4-methylhex-2-ynyl)azanium chloride
Names & synonyms
2-HEXYN-1-AMINE, N,N-BIS(2-CHLOROETHYL)-4-METHOXY-4-METHYL-, HYDROCHLORIDE40415-97-2RefChem:1063301N,N-Bis(2-chloroethyl)-4-methoxy-4-methyl-2-hexyn-1-amine hydrochloride
Database identifiers
- CAS
40415-97-2- PubChem CID
- 38467
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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