| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 17 | Yes |
Popular Name: BOC-4-ABZ-OH BOC-4-ABZ-OH
Find On: PubMed — Wikipedia — Google
CAS Numbers: 66493-39-8 , [66493-39-8]
"4-(Boc-amino)benzoic acid, 98%"
4-((tert-Butoxycarbonyl)amino)benzoic acid
4-(Boc-amino)benzoic acid, 97%
4-tert-Butoxycarbonylamino-benzoic acid
4-tert-Butoxycarbonylaminobenzoic acid
4-[(tert-butoxycarbonyl)amino]benzoic acid
N-Boc-4-aminobenzoic acid, 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) | 2.74 | 5.28 | -50.22 | 1 | 5 | -1 | 78 | 236.247 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 179 - 181 | Acros Organics |
| MP | 189°(dec.) | Oakwood Chemical |
| MP | 193 - 195 | Enamine Building Blocks |
| MP | 193...195 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 193? dec. | Alfa-Aesar |
| Melting_Point | ca 193° dec. | Alfa-Aesar |
| 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
