1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
Basic information
- CAS
101931-54-8- Standard SMILES
CC[N+]([O-])(CC)CCCCC[N+]([O-])(CCCl)CCCl.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
CGMWKYLAZZJWGZ-UHFFFAOYSA-N- Molecular formula
- C25H34Cl2N8O16
- Average molar mass
- 773.5 g/mol
- Monoisotopic mass
- 772.1469824
Names & identifiers
- Preferred name
- 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
- IUPAC
- N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide;bis(2,4,6-trinitrophenol)
Names & synonyms
1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate101931-54-8DTXSID50144367RefChem:221433DTXCID2066858N~1~,N~1~-Bis(2-chloroethyl)-N~5~,N~5~-diethylpentane-1,5-diamine N-oxide--2,4,6-trinitrophenol (1/2)
Database identifiers
- CAS
101931-54-8- PubChem CID
- 3063979
- DTXSID
DTXSID50144367
Properties
Computed structural properties
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 512
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…