Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1)
Basic information
- CAS
107638-88-0- Standard SMILES
ClC(Cl)CNCC(Cl)Cl.N#CC(C(c1ccccc1)C(C#N)[N+](=O)[O-])[N+](=O)[O-]- InChIKey
BDJHKCVPYSNTDV-UHFFFAOYSA-N- Molecular formula
- C15H15Cl4N5O4
- Average molar mass
- 471.1 g/mol
- Monoisotopic mass
- 468.987815
Names & identifiers
- Preferred name
- Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1)
- IUPAC
- 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine;2,4-dinitro-3-phenylpentanedinitrile
- English name
- 2,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichlor oethyl)ethanamine
- Molecular formula
- C11H8N4O4.C4H7Cl4N
- Molecular weight
- 471.126
Names & synonyms
107638-88-0Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1)RefChem:10945022,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamineDTXSID909103862,2-dichloro-N-(2,2-dichloroethyl)ethanamine;2,4-dinitro-3-phenylpentanedinitrile2,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichlor oethyl)ethanamine2,4-Dinitro-3-phenylpentanedinitrile--2,2-dichloro-N-(2,2-dichloroethyl)ethan-1-amine (1/1)
Database identifiers
- CAS
107638-88-0- PubChem CID
- 3065296
- DTXSID
DTXSID90910386
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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