| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 8 | Yes |
Popular Name: N-Methylaniline N-Methylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-61-8 , 100-618 , 2739-12-0 , 29885-95-8
100-61-8; C02299; N-Methylaniline; N-Methylbenzenamine
CHEBI:7312; CHEBI:21761; CHEBI:12518
N-methylaminobenzene hydrochloride
N-Methylanilinium trifluoroacetate
N-Methylanilinium trifluoroacetate, 99%
| 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) | 1.80 | 3.3 | -2.72 | 1 | 1 | 0 | 12 | 107.156 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 57 | Acros Organics |
| MP | 57 - -55 | Enamine Building Blocks |
| MP | 57...-55 | Enamine Building Blocks |
| Melting_Point | 57? | Alfa-Aesar |
| Melting_Point | 57° | Alfa-Aesar |
| Boiling_Point | 194-197? | Alfa-Aesar |
| Boiling_Point | 194-197° | Alfa-Aesar |
| BP [°C] | 195 | Acros Organics |
| BP | 196 | TCI |
| BP | 196° | Oakwood Chemical |
| Melting_Point | 64-68? | Alfa-Aesar |
| Melting_Point | 64-68° | Alfa-Aesar |
| MP | 68 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Patent Database Links | EP0985671; EP1048666; EP1331222; EP1498406; US2003144275; US2005014721; US2005085492; US2006094042; US2007049642; WO2005100369; WO2006017295; WO2008136018 | ChEBI |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure | Acros Organics |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure; H331: Toxic if inhaled; H311: Toxic in contact with skin; H410: Very toxic to aquatic life with long lasting effects; H301: Toxic if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | 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. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | 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).; S60: This mater | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.