n,n-Bis(2-chloroethyl)-3,4-dimethoxyaniline
Basic information
- CAS
6322-43-6- Standard SMILES
COc1ccc(N(CCCl)CCCl)cc1OC- InChIKey
AWUAZGDXAPQIGH-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO2
- Average molar mass
- 278.17 g/mol
- Monoisotopic mass
- 277.0636342
Names & identifiers
- Preferred name
- n,n-Bis(2-chloroethyl)-3,4-dimethoxyaniline
- IUPAC
- N,N-bis(2-chloroethyl)-3,4-dimethoxyaniline
Names & synonyms
6322-43-6n,n-bis(2-chloroethyl)-3,4-dimethoxyanilineNSC31578CHEMBL3250331DTXSID70283444NSC-31578
Database identifiers
- CAS
6322-43-6- PubChem CID
- 233228
- DTXSID
DTXSID70283444- ChEMBL
CHEMBL3250331
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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