1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (1:1)
PubChem CID: 90565
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| Compound Synonyms | 24631-29-6, 4-Ammoniophenyl(dimethyl)ammonium oxalate, 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (1:1), EINECS 246-374-0, N,N-Dimethyl-p-phenylenediamine oxalate (1:1), DTXSID5067009, 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (1:1), N1,N1-Dimethylbenzene-1,4-diamine oxalate, ETHANEDIOICACID, p-aminodimethylaniline oxalate, SCHEMBL6685435, DTXCID4037114, KBIWNQVZKHSHTI-UHFFFAOYSA-N, AKOS015995399, DB-046511, DB-073192, 246-374-0 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-N,4-N-dimethylbenzene-1,4-diamine, oxalic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBIWNQVZKHSHTI-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.613 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.388 |
| Compound Name | 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (1:1) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0874383999999995 |
| Inchi | InChI=1S/C8H12N2.C2H2O4/c1-10(2)8-5-3-7(9)4-6-8, 3-1(4)2(5)6/h3-6H,9H2,1-2H3, (H,3,4)(H,5,6) |
| Smiles | CN(C)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients