Physical Representations
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)
0.24
-0.7
-4.72
1
2
0
33
59.068
0
↓
Vendor Notes
Note Type
Comments
Provided By
BP [°C]
115
Acros Organics
Mp [°C]
44 - 46
Acros Organics
H phrase
H312: Harmful in contact with skin
Acros Organics
H phrase
H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H228: Flammable solid
Acros Organics
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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P21
Acros Organics
R phrase
R10: Flammable.
Acros Organics
R phrase
R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Acros Organics
S phrase
S16: Keep away from sources of ignition - No smoking.
Acros Organics
S phrase
S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes.
Acros Organics
Hazard
XN: Harmful
Acros Organics
No pre-computed analogs available. Try a structural similarity search .
