2-Decyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
Basic information
- CAS
40415-93-8- Standard SMILES
CCCCCCC(C)(O)C#CCN(CCCl)CCCl.Cl- InChIKey
XHRRYRFUECWOTI-UHFFFAOYSA-N- Molecular formula
- C15H28Cl3NO
- Average molar mass
- 344.7 g/mol
- Monoisotopic mass
- 343.123648
Names & identifiers
- Preferred name
- 2-Decyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
- IUPAC
- 1-[bis(2-chloroethyl)amino]-4-methyldec-2-yn-4-ol;hydrochloride
Names & synonyms
4-Methyl-1-(bis(2-chloroethyl)amino)-2-decyn-4-ol hydrochloride40415-93-82-Decyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochlorideRefChem:260067DTXSID609608131-[Bis(2-chloroethyl)amino]-4-methyldec-2-yn-4-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
40415-93-8- PubChem CID
- 218265
- DTXSID
DTXSID60960813
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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