4-Chloro-5-(2-dimethylaminomethyl-pyrrolidin-1-yl)-2-nitroaniline
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN(C)CC1CCCN1c1cc(N)c([N+](=O)[O-])cc1Cl- InChIKey
HWUDWJALHDLWQA-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4O2
- Average molar mass
- 298.77 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-5-(2-dimethylaminomethyl-pyrrolidin-1-yl)-2-nitroaniline
- IUPAC
- 4-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-nitroaniline
Names & synonyms
4-chloro-5-(2-dimethylaminomethyl-pyrrolidin-1-yl)-2-nitroanilineSCHEMBL9900059HWUDWJALHDLWQA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67958005
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…