Basic information
- CAS
93537-06-5- Standard SMILES
Cc1cc(N(CCCl)CCCl)ccc1C=C(C#N)C#N- InChIKey
GDWKRIWDPVIWIV-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.0643029
Names & identifiers
- Preferred name
- Propanedinitrile, [[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylene]-
- IUPAC
- 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
- English name
- 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylidene]propanedin itrile
- Molecular formula
- C15H15Cl2N3
- Molecular weight
- 0
Names & synonyms
93537-06-5NSC52693Propanedinitrile, [[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylene]-DTXSID80918351NSC-52693Malononitrile, [4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]-({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)propanedinitrile2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylidene]propanedin itrile
Database identifiers
- CAS
93537-06-5- PubChem CID
- 243285
- DTXSID
DTXSID80918351
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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