Basic information
- CAS
99901-02-7- Standard SMILES
COC(=O)CCN1CC1.C[O-].Nc1cccc([N+](=O)[O-])c1.[Na+]- InChIKey
USYMQSMIXBPLTR-UHFFFAOYSA-N- Molecular formula
- C13H20N3NaO5
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.13006503
Names & identifiers
- Preferred name
- 1-aziridinepropionic acid, methyl ester compd. with m-nitroaniline and methanol, sodium salt
- IUPAC
- sodium;methanolate;methyl 3-(aziridin-1-yl)propanoate;3-nitroaniline
Names & synonyms
99901-02-7DTXSID80244304RefChem:227751DTXCID40166795sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline1-Aziridinepropionic acid, methyl ester compd. with m-nitroaniline and methanol, sodium salt, 1-Aziridinepropanoic acid, methyl ester compd. with m-nitroaniline and sodium methoxide, AC1L1N9X, LS-23332, sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline, 99901-02-7
Database identifiers
- CAS
99901-02-7- PubChem CID
- 57570
- DTXSID
DTXSID80244304
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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