Basic information
- CAS
40415-92-7- Standard SMILES
CCCCC(C)(O)CC#C[NH+](CCCl)CCCl.[Cl-]- InChIKey
CYICVSRBKBXVPJ-UHFFFAOYSA-N- Molecular formula
- C13H24Cl3NO
- Average molar mass
- 316.7 g/mol
- Monoisotopic mass
- 315.092347
Names & identifiers
- Preferred name
- 2-Octyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)azanium chloride
Names & synonyms
4-Methyl-1-bis-(2-chloroethyl)amino-2-octyn-4-ol hydrochloride40415-92-72-OCTYN-4-OL, 1-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-, HYDROCHLORIDERefChem:264526
Database identifiers
- CAS
40415-92-7- PubChem CID
- 38465
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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