| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 10th, 2011 | 10 | Yes |
Popular Name: (4-chloro-3-methylphenyl)methanamine (4-chloro-3-methylphenyl)methana…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1155357-58-6 , 1264198-68-6
4-Chloro-3-methylbenzylamine hydrochloride
4-Chloro-3-methylbenzylamine hydrochloride, 97%
| 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) | 2.18 | 3.62 | -47.42 | 3 | 1 | 1 | 28 | 156.636 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 3.22 | -2.46 | 2 | 1 | 0 | 26 | 155.628 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 252.3 - 253.5 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.