| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 6 | Yes |
Popular Name: 2-AMINO-1-BUTANOL 2-AMINO-1-BUTANOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13054-87-0 , 35320-23-1 , 5856-62-2 , 5856-63-3 , 96-20-8 , [13054-87-0] , [5856-63-3] , [96-20-8]
| 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) | -0.58 | -2.3 | -35.78 | 4 | 2 | 1 | 48 | 90.146 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 2 | Acros Organics |
| Melting_Point | 2? | Alfa-Aesar |
| Melting_Point | 2° | Alfa-Aesar |
| BP [°C] | 172 - 174 | Acros Organics |
| BP [°C] | 176 - 178 | Acros Organics |
| Boiling_Point | 176-178? | Alfa-Aesar |
| Boiling_Point | 176-178° | Alfa-Aesar |
| BP | 180 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.