| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 8 | No |
Popular Name: N'-hydroxy-2,2-dimethylpropanimidamide N'-hydroxy-2,2-dimethylpropanimi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42956-75-2 , [42956-75-2]
| 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) | 1.03 | -0.01 | -4.74 | 3 | 3 | 0 | 59 | 116.164 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | -0.06 | -29.4 | 4 | 3 | 1 | 60 | 117.172 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 0 | -27.5 | 4 | 3 | 1 | 60 | 117.172 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 108.6 - 113.7 | Acros Organics |
| MP | 113-115° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; 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 | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Re | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin 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.