Basic information
- CAS
97805-02-2- Standard SMILES
N#CC[NH+](CCCl)CCCl.[Cl-]- InChIKey
PTBHDMQRJPPXKL-UHFFFAOYSA-N- Molecular formula
- C6H11Cl3N2
- Average molar mass
- 217.5 g/mol
- Monoisotopic mass
- 215.998781
Names & identifiers
- Preferred name
- Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride
- IUPAC
- bis(2-chloroethyl)-(cyanomethyl)azanium chloride
Names & synonyms
(Bis(2-chloroethyl)amino)acetonitrile monohydrochloride97805-02-2ACETONITRILE, (BIS(2-CHLOROETHYL)AMINO)-, MONOHYDROCHLORIDERefChem:316837Acetonitrile,(bis(2-chloroethyl)amino)-hclCID57313, LS-13215, (Bis(2-chloroethyl)amino)acetonitrile monohydrochloride, ACETONITRILE, (BIS(2-CHLOROETHYL)AMINO)-, MONOHYDROCHLORIDE, 97805-02-2
Database identifiers
- CAS
97805-02-2- PubChem CID
- 57313
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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