Basic information
- CAS
81525-14-6- Standard SMILES
CCCCC#CCN(CCCl)CCCl- InChIKey
YVRVWHHODFVGKM-UHFFFAOYSA-N- Molecular formula
- C11H19Cl2N
- Average molar mass
- 236.18 g/mol
- Monoisotopic mass
- 235.089455
Names & identifiers
- Preferred name
- 2-Heptyn-1-amine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)hept-2-yn-1-amine
Names & synonyms
N,N-bis(2-chloroethyl)hept-2-yn-1-amine81525-14-62-Heptyn-1-amine, N,N-bis(2-chloroethyl)-DTXSID10330340
Database identifiers
- CAS
81525-14-6- PubChem CID
- 429042
- DTXSID
DTXSID10330340
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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