n,n-Bis(2-chloroethyl)-2,4,6-trimethoxyaniline
Basic information
- CAS
27077-10-7- Standard SMILES
COc1cc(OC)c(N(CCCl)CCCl)c(OC)c1- InChIKey
JJWFITSHOLBCBQ-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)-2,4,6-trimethoxyaniline
- IUPAC
- N,N-bis(2-chloroethyl)-2,4,6-trimethoxyaniline
Names & synonyms
27077-10-7n,n-bis(2-chloroethyl)-2,4,6-trimethoxyanilineNSC38201DTXSID30949832NSC-38201DS-006628BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2,4,6-TRIMETHOXY-
Database identifiers
- CAS
27077-10-7- PubChem CID
- 236134
- DTXSID
DTXSID30949832
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
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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