| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 6 | Yes |
Popular Name: 3,3-Dimethyl-1-butyne 3,3-Dimethyl-1-butyne
Find On: PubMed — Wikipedia — Google
CAS Number: 917-92-0
| 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) | 2.17 | 4.59 | -1.99 | 0 | 0 | 0 | 0 | 82.146 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 37-38° | Fluorochem |
| Mp [°C] | 78 | Acros Organics |
| MP | 78 - -76 | Enamine Building Blocks |
| MP | 78...-76 | Enamine Building Blocks |
| Melting_Point | 78? | Alfa-Aesar |
| MP | 78° | Matrix Scientific |
| BP [°C] | 37 - 38 | Acros Organics |
| Boiling_Point | 37-38? | Alfa-Aesar |
| BP | 37-38° | Matrix Scientific |
| BP | 38 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| Hazard | F+: Extremely flammable; XI: Irritant | Acros Organics |
| Hazard | F: Highly flammable | Acros Organics |
| Warnings | Flammable/Refrigerate | Matrix Scientific |
| H phrase | H224: Extremely flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R12: Extremely flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.