n,n-Bis(2-chloroethyl)-2,3,6-trimethoxyaniline
Basic information
- CAS
27077-09-4- Standard SMILES
COc1ccc(OC)c(N(CCCl)CCCl)c1OC- InChIKey
AJWZEPVEMCDFSQ-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2NO3
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.0741989
Names & identifiers
- Preferred name
- n,n-Bis(2-chloroethyl)-2,3,6-trimethoxyaniline
- IUPAC
- N,N-bis(2-chloroethyl)-2,3,6-trimethoxyaniline
Names & synonyms
27077-09-4n,n-bis(2-chloroethyl)-2,3,6-trimethoxyanilineNSC38200DTXSID70949831NSC-38200DS-006627BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2,3,6-TRIMETHOXY-
Database identifiers
- CAS
27077-09-4- PubChem CID
- 236133
- DTXSID
DTXSID70949831
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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