Basic information
- CAS
21627-60-1- Standard SMILES
CN(C)CCCNc1ccccc1[N+](=O)[O-]- InChIKey
ZDZJXJSIUMJLQB-UHFFFAOYSA-N- Molecular formula
- C11H17N3O2
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.13207679
Names & identifiers
- Preferred name
- N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine
- IUPAC
- N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine
- English name
- N1,N1-DIMETHYL-N3-(2-NITROPHENYL)PROPANE-1,3-DIAMINE
- Molecular formula
- C11H17N3O2
- Molecular weight
- 223.27
Names & synonyms
21627-60-1N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamineN',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamineSCHEMBL7973853DTXSID10276875ZDZJXJSIUMJLQB-UHFFFAOYSA-NAKOS0052092362-(3-dimethylaminopropylamino)-nitrobenzeneN-[3-(DIMETHYLAMINO)PROPYL]-2-NITROANILINEF1911-3518N~1~,N~1~-Dimethyl-N~3~-(2-nitrophenyl)propane-1,3-diamineN1,N1-DIMETHYL-N3-(2-NITROPHENYL)PROPANE-1,3-DIAMINE
Show more names
UKRORGSYN-BB BBR-0445211,3-Propanediamine, N1,N1-dimethyl-N3-(2-nitrophenyl)-
Database identifiers
- CAS
21627-60-1- PubChem CID
- 210504
- DTXSID
DTXSID10276875
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Related reactions
4 records
Compound notes
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