n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline
Basic information
- CAS
27096-57-7- Standard SMILES
COc1cc(OC)c(N(CCCl)CCCl)cc1OC- InChIKey
YSVCPMOLCICSJR-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)-2,4,5-trimethoxyaniline
- IUPAC
- N,N-bis(2-chloroethyl)-2,4,5-trimethoxyaniline
Names & synonyms
27096-57-7n,n-bis(2-chloroethyl)-2,4,5-trimethoxyanilineNSC35239DTXSID30949852NSC-35239DS-009901BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2,4,5-TRIMETHOXY-
Database identifiers
- CAS
27096-57-7- PubChem CID
- 234752
- DTXSID
DTXSID30949852
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
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