| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: methyl 4-amino-3-methylbenzoate methyl 4-amino-3-methylbenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1172454-57-7 , 18595-14-7 , N/A , [18595-14-7]
4-Amino-3-methylbenzoic acid methyl ester
4-AMINO-3-TOLUIC ACID METHYL ESTER
Benzoic acid, 4-amino-3-methyl-, methyl ester
methyl 4-amino-3-methylbenzenecarboxylate
methyl 4-amino-3-methylbenzoate hydrochloride
Methyl 4-amino-3-methylbenzoate, 98%
Methyl-4-amino-3-methyl-benzoate
Methyl4-amino-3-methylbenzoate
| 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) | 1.97 | 3.78 | -7.36 | 2 | 3 | 0 | 52 | 165.192 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 116 - 117 | Acros Organics |
| MP | 116 - 118 | Enamine Building Blocks |
| Melting_Point | 116-120? | Alfa-Aesar |
| MP | 116...118 | Enamine Building Blocks |
| melting_point | 117 - 119 | KeyOrganics |
| MP | 117-119° | Matrix Scientific |
| MP | 120 | TCI |
| MP | 120-121° | Oakwood Chemical |
| MP | 222 - 224 | Enamine Building Blocks |
| MP | 222...224 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| Purity | 99% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
