| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 11 | Yes |
Popular Name: 3-Amino-4-hydroxybenzoic acid 3-Amino-4-hydroxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1571-65-9 , 1571-72-8 , 7450-57-9 , [1571-65-9] , [1571-72-8]
"3-Amino-4-hydroxybenzoic acid, 98%"
1571-72-8; 3,4-AHBA; 3-Amino-4-hydroxybenzoic acid; C12115
3,4-AHBA; 3-Amino-4-hydroxybenzoic acid; 3-amino-4-hydroxybenzoic acid
3-amino-4-hydroxybenzoate; 3-amino-4-hydroxybenzoate anion
3-Amino-4-hydroxybenzoic acid hydrochloride
3-Amino-4-hydroxybenzoic acid, 97%
3-Amino-4-hydroxybenzoic acid, 98%
4-Hydroxy-3-aminobenzoic acid HCl
5-amino saliciylic acid (5-ASA)
| 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) | 1.04 | -0.73 | -50.42 | 3 | 4 | -1 | 86 | 152.129 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 197 | TCI |
| Mp [°C] | 198 - 205 | Acros Organics |
| MP | 208 - 210 | Enamine Building Blocks |
| MP | 208...210 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Melting_Point | ca 200? dec. | Alfa-Aesar |
| Melting_Point | ca 200° dec. | Alfa-Aesar |
| MP | ca 208°(dec) | Matrix Scientific |
| UniProt Database Links | GRIH_STRGG; GRIH_STRGR | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT, AIR SENSITIVE, LIGHT SENSITIVE | Matrix Scientific |
| Warnings | Irritant/Light Sensitive/Air Sensitive | 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 |
No pre-computed analogs available. Try a structural similarity search.