Basic information
- CAS
100576-10-1- Standard SMILES
NC(=O)C[NH+](CCCl)CC[NH+](CCCl)CC(N)=O.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
SLXAQLHVNFOMTF-UHFFFAOYSA-N- Molecular formula
- C22H26Cl2N10O16
- Average molar mass
- 757.4 g/mol
- Monoisotopic mass
- 756.0905302
Names & identifiers
- Preferred name
- Acetamide, 2,2'-(ethylenebis((2-chloroethyl)imino))bis-, dipicrate
- IUPAC
- (2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(2-chloroethyl)azaniumyl]ethyl]-(2-chloroethyl)azanium;bis(2,4,6-trinitrophenolate)
Names & synonyms
100576-10-1ACETAMIDE, 2,2'-(ETHYLENEBIS((2-CHLOROETHYL)IMINO))BIS-, DIPICRATE2,2'-(Ethylenebis((2-chloroethyl)imino))bisacetamide dipicrateDTXSID30143398N,N'-Bis(2-chloroethyl)-N,N'-bis(carbamoylmethyl)ethylenediamine dipicrateRefChem:314258DTXCID7065889N~1~,N~2~-Bis(2-amino-2-oxoethyl)-N~1~,N~2~-bis(2-chloroethyl)ethane-1,2-bis(aminium) bis(2,4,6-trinitrophenolate)
Database identifiers
- CAS
100576-10-1- PubChem CID
- 57944
- DTXSID
DTXSID30143398
Properties
Computed structural properties
- Topological polar surface area
- 416 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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