p-Phenylenediamine
PubChem CID: 7814
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| Compound Synonyms | p-Phenylenediamine, 106-50-3, benzene-1,4-diamine, 1,4-BENZENEDIAMINE, 1,4-Diaminobenzene, 1,4-Phenylenediamine, 4-Aminoaniline, para-phenylenediamine, p-Diaminobenzene, p-Aminoaniline, Orsin, 4-Phenylenediamine, Paraphenylenediamine, p-Benzenediamine, Fouramine D, Futramine D, Benzofur D, Developer PF, Fourrine D, Fur Yellow, Santoflex IC, Santoflex LC, Durafur Black R, Pelagol D, Tertral D, Pelagol DR, Pelagol Grey D, Peltol D, Fourrine 1, Furro D, Ursol D, Renal PF, Zoba Black D, Developer 13, Nako H, BASF ursol D, Fenylenodwuamina, p-Phenyldiamine, Oxidation base 10, P-PHENYLENE DIAMINE, Rodol D, Usaf ek-394, C.I. Developer 13, Fur Black 41867, Paraphenylen-diamine, paraphenylene-diamine, p-Fenylendiamin, FUR Brown 41866, C.I. Oxidation Base 10, CI Developer 13, p-phenylenediamine base, CI Oxidation Base 10, Fur Black 41866, CI 76060, NSC 4777, CCRIS 509, C.I. 76060, CHEBI:51403, 1,4-Phenylenediamine-15N2, HSDB 2518, EINECS 203-404-7, UNII-U770QIT64J, U770QIT64J, DTXSID9021138, AI3-00710, NSC-4777, MFCD00007901, p-PhenylenediaMine(p-PDA), DTXCID401138, EC 203-404-7, NCGC00159375-02, NCGC00159375-04, p-Fenylendiamin [Czech], PARAPHENYLENEDIAMINE (MART.), PARAPHENYLENEDIAMINE [MART.], Fenylenodwuamina [Polish], Black for Fur D, 1,4-diaminobenzol, CAS-106-50-3, 4-phenylene diamine, 1,4-phenylene diamine, Phenylenediamine, para-, p-Phenylenediamine Solution in Acetonitrile, 100ug/mL, p-phenylendiamine, 4-amino-aniline, Aminogen II, para-diaminobenzene, ELF Color, p-phenylene-diamine, paraphenylene diamine, aniline, 4-amino-, 1,4-diamino benzene, para-phenylene diamine, Phenylenediamine, para, FOURRINE I, MAKO H, FUR BLACK R, WLN: ZR DZ, Epitope ID:114080, SCHEMBL27981, 1,4-DIAMINO-BENZENE, USAF EK-391, HSDB 6256 (Salt/Mix), CHEMBL403741, P-PHENYLENEDIAMINE [MI], NSC4777, C.I. 76076 (Salt/Mix), 1,4-BENZENEDIAMINE [HSDB], P-PHENYLENEDIAMINE [WHO-DD], PARAPHENYLENEDIAMINE [VANDF], STR01091, Tox21_111615, Tox21_201993, Tox21_302943, BBL011602, MSK1226-100A, STL163334, AKOS005716327, p-Phenylenediamine, sublimed, >=99%, Tox21_111615_1, 1,4-Benzendiamine, 1,4-Di-aminobenzol, DB14141, FP26952, UN 1673, p-Phenylenediamine, flakes, >=99.5%, NCGC00159375-03, NCGC00159375-05, NCGC00256482-01, NCGC00259542-01, 1ST1226-100A, BP-31236, p-Phenylenediamine, >=99.0% (GC/NT), PHENYLENEDIAMINE, PARA, SOLID (DOT), NS00010864, P0170, EN300-19064, C19499, Obeo The Mee Plus Hair Color Cream Dark Brown, Obeo The Mee Plus Hair Color Cream Natural Brown, Q415024, TMCA HAIR COLOR Number Six (Natural dark brown), p-Phenylenediamine, technical, >=97.0% (GC/NT), 1,4-Phenylenediamine 2000 microg/mL in Acetonitrile, p-Phenylenediamine [UN1673] [Keep away from food], Z104472524, 1,4-Benzenediamine, p-Phenylenediamine, (4-Aminophenyl)amine, InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H, p-Phenylenediamine, zone-refined, purified by sublimation, >=99%, BEAUTIFUL WOMANS HAIR LOVES COLORFUL BUBBLES HAIR DYE 3N DARK BROWN, 203-404-7 |
|---|---|
| Topological Polar Surface Area | 52.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, Q03164, O97447, Q96KQ7, Q13951, P11473, Q9UBT6, P25094, P08659, P27695, n.a., P10275, Q16236 |
| Iupac Name | benzene-1,4-diamine |
| Prediction Hob | 1.0 |
| Target Id | NPT51 |
| Xlogp | -0.3 |
| Molecular Formula | C6H8N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBCKQZAAMUWICA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | 0.11 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.271 |
| Compound Name | p-Phenylenediamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 108.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.069 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 108.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8764928 |
| Inchi | InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 |
| Smiles | C1=CC(=CC=C1N)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all