Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCNc1ncccc1[N+](=O)[O-]- InChIKey
ZEHZAVDWPGCCGM-UHFFFAOYSA-N- Molecular formula
- C13H20N4O4
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.14845513
Names & identifiers
- Preferred name
- Tert-butyl (3-((3-nitropyridin-2-yl)amino)propyl)carbamate
- IUPAC
- tert-butyl N-[3-[(3-nitro-2-pyridinyl)amino]propyl]carbamate
Names & synonyms
SCHEMBL8290003ZEHZAVDWPGCCGM-UHFFFAOYSA-Ntert-butyl (3-((3-nitropyridin-2-yl)amino)propyl)carbamate
Database identifiers
- PubChem CID
- 70335437
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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