N-(3-amino-3-iminopropyl)-1-methyl-4-nitropyrrole-2-carboxamide
Basic information
- CAS
14559-43-4- Standard SMILES
Cn1cc([N+](=O)[O-])cc1C(=O)NCCC(=N)N- InChIKey
KIQYRLXDGHDTDK-UHFFFAOYSA-N- Molecular formula
- C9H13N5O3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.10183929
Names & identifiers
- Preferred name
- N-(3-amino-3-iminopropyl)-1-methyl-4-nitropyrrole-2-carboxamide
- IUPAC
- N-(3-amino-3-iminopropyl)-1-methyl-4-nitropyrrole-2-carboxamide
- English name
- N-(3-Amino-3-iminopropyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide
- Molecular formula
- C9H13N5O3
- Molecular weight
- 239.23
Names & synonyms
14559-43-4N-(3-amino-3-iminopropyl)-1-methyl-4-nitropyrrole-2-carboxamideDTXSID60337248RefChem:361219DTXCID50288336N-(3-Amino-3-iminopropyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamideKIQYRLXDGHDTDK-UHFFFAOYSA-NPyrrole-2-carboxamide, N-(2-amidinoethyl)-1-methyl-4-nitro-CHEMBL609439SCHEMBL266432331H-Pyrrole-2-carboxamide, N-(3-amino-3-iminopropyl)-1-methyl-4-nitro-DB-188366
Show more names
N-(3-Amino-3-iminopropyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide #
Database identifiers
- CAS
14559-43-4- PubChem CID
- 540577
- DTXSID
DTXSID60337248- ChEMBL
CHEMBL609439- Nikkaji
- J129.110F
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 281 °C · 281 °C
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.46(Predicted)
- Comptox DTXSID
- 60337248 · DTXSID60337248
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933990099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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