| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 8 | Yes |
Popular Name: p-Toluidine p-Toluidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-49-0 , 106-49-0/12221-03-3 , 12221-03-3 , 26915-12-8 , 540-23-8 , 6321-23-9 , [106-49-0] , [12221-03-3] , [540-23-8]
2-Aminobenzotrifluoride Hydrochloride [90774-69-9]; (4-(Trifluoromethyl)aniline hydrochloride)
4-(1,1,2,2-Tetrafluoroethoxy)Aniline [713-62-2]
4-(Difluoromethoxy)Aniline [22236-10-8]
4-(Trifluoromethoxy)Aniline [461-82-5]
4-Aminophenyl trifluoromethyl Sulfide [372-16-7]; (4-(trifluoromethylthio)aniline
4-Aminotoluene; 4-Methylbenzenamine; 4-Toluidine; p-Methylbenzenamine; p-Tolylamine
Benzenamine, 4-methyl-, nitrate; LS-154397; p-Toluidine, nitrate; p-Toluidinium nitrate
C.I.Azoic Coupling Component 107
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.46 | 3.04 | -2.67 | 2 | 1 | 0 | 26 | 107.156 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 199-202? | Alfa-Aesar |
| Boiling_Point | 199-202° | Alfa-Aesar |
| BP | 200° | Oakwood Chemical |
| MP | 243 | TCI |
| MP | 41 - 46 | Enamine Building Blocks |
| MP | 41...46 | Enamine Building Blocks |
| Melting_Point | 42-46? | Alfa-Aesar |
| Melting_Point | 42-46° | Alfa-Aesar |
| MP | 43 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP0812824; EP0966957; EP1010731; EP1422218; US2002155065; WO2005005387; WO2005100369; WO2006060381 | ChEBI |
| H phrase | H311: Toxic in contact with skin; H351: Suspected of causing cancer; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction; H331: Toxic if inhaled; H400: Very toxic to aquatic life; H301: Toxic if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36: Irritating to eyes.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R50: Very toxic to aquatic organisms. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 4900 | 0.93 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 36.3078055 | 1.30 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 36.3078055 | 1.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
