Propanedinitrile, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylene]-
Basic information
- CAS
93537-07-6- Standard SMILES
COc1cc(C=C(C#N)C#N)ccc1N(CCCl)CCCl- InChIKey
WKLHCAKILDDCIN-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3O
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 323.0592175
Names & identifiers
- Preferred name
- Propanedinitrile, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylene]-
- IUPAC
- 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylidene]propanedinitrile
Names & synonyms
93537-07-6NSC74675Propanedinitrile, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylene]-DTXSID50291284NSC-74675DS-012290({4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}methylidene)propanedinitrile
Database identifiers
- CAS
93537-07-6- PubChem CID
- 252596
- DTXSID
DTXSID50291284
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
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Related reactions
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Compound notes
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