Basic information
- CAS
102586-06-1- Standard SMILES
CCOC(=O)C(CCCCN(CN)N=O)N(N=O)C(N)=O- InChIKey
NEMKILBTAPWFOQ-UHFFFAOYSA-N- Molecular formula
- C10H20N6O5
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.14951776
Names & identifiers
- Preferred name
- Lysine, N(sup 2)-carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-aminomethyl-, ethyl ester
- IUPAC
- ethyl 6-[aminomethyl(nitroso)amino]-2-[carbamoyl(nitroso)amino]hexanoate
Names & synonyms
102586-06-1N2-Carbamoyl-N2,N6-dinitroso-N6-aminomethyllysine ethyl esterLysine, N(sup 2)-carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-aminomethyl-, ethyl esterRefChem:351448DTXSID60907889N-{6-[(Aminomethyl)(nitroso)amino]-1-ethoxy-1-oxohexan-2-yl}-N-nitrosocarbamimidic acid
Database identifiers
- CAS
102586-06-1- PubChem CID
- 59677
- DTXSID
DTXSID60907889
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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