| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 12 | Yes |
Popular Name: 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one 1,2,3,4-Tetrahydro-benzo[b]azepi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1127-74-8 , [1127-74-8]
1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Hydrochloride
1,2,3,4-Tetrahydrobenzazepine-5-one, 97%
1,2,3,4-Tetrahydrobenzoazepine-5-one
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
| 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) | 1.67 | 4.33 | -6.48 | 1 | 2 | 0 | 29 | 161.204 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 70 - 71 | Enamine Building Blocks |
| melting_point | 70 - 72 | KeyOrganics |
| MP | 70-72° | Matrix Scientific |
| MP | 70...71 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.