Basic information
- CAS
57-54-5- Standard SMILES
C[N+]1(CCCl)CC1- InChIKey
LWMDBBLXXQCZLB-UHFFFAOYSA-N- Molecular formula
- C5H11ClN+
- Average molar mass
- 120.6 g/mol
- Monoisotopic mass
- 120.058002
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- N-2-Chloroethyl-N-methylaziridinium
- IUPAC
- 1-(2-chloroethyl)-1-methylaziridin-1-ium
- English name
- N-2-Chloroethyl-N-methylaziridinium
- Molecular formula
- C5H11ClN+
- Molecular weight
- 120.60054
Names & synonyms
N-2-Chloroethyl-N-methylaziridinium57-54-5DTXSID90205603RefChem:162463DTXCID801280941-(2-chloroethyl)-1-methylaziridin-1-iumChlorimine mustard1-(2-Chloroethyl)-1-methylaziridiniumBRN 35359241-Methyl-1-(beta-chloroethyl)ethylenimoniumN-(2-Chloroethyl)-N-methylaziridinium ionAZIRIDINIUM, 1-(2-CHLOROETHYL)-1-METHYL-
Show more names
SCHEMBL9974633
Database identifiers
- CAS
57-54-5- PubChem CID
- 5989
- DTXSID
DTXSID90205603- Nikkaji
- J2.283.626I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 1
- Complexity
- 68.5
Physicochemical properties
- Boiling point
- 189.09 °C · 189.09°C (rough estimate)
- Density
- 1.0166 · 1.0166 (rough estimate)
- refractive index
- 1.5304 · 1.5304 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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