Basic information
- CAS
6738-41-6- Standard SMILES
CCC(c1ccc(OCC(=O)N(CCCl)CCCl)cc1)C(CC)c1ccc(OCC(=O)N(CCCl)CCCl)cc1- InChIKey
PUUCLEGTVSFYGU-UHFFFAOYSA-N- Molecular formula
- C30H40Cl4N2O4
- Average molar mass
- 634.5 g/mol
- Monoisotopic mass
- 632.174219
Names & identifiers
- Preferred name
- 2,2'-{Hexane-3,4-diylbis[(4,1-phenylene)oxy]}bis[N,N-bis(2-chloroethyl)acetamide]
- IUPAC
- 2-[4-[4-[4-[2-[bis(2-chloroethyl)amino]-2-oxoethoxy]phenyl]hexan-3-yl]phenoxy]-N,N-bis(2-chloroethyl)acetamide
Names & synonyms
6738-41-6NSC299920DTXSID00316138NSC-2999202,2'-{Hexane-3,4-diylbis[(4,1-phenylene)oxy]}bis[N,N-bis(2-chloroethyl)acetamide]DS-0128452,2'-[Hexane-3,4-diylbis(4,1-phenyleneoxy)]bis[N,N-bis(2-chloroethyl)acetamide]2-[4-[4-[4-[bis(2-chloroethyl)carbamoylmethoxy]phenyl]hexan-3-yl]phenoxy]-N,N-bis(2-chloroethyl)acetamide
Database identifiers
- CAS
6738-41-6- PubChem CID
- 326992
- DTXSID
DTXSID00316138
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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