UCSF

ZINC01680419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 Yes

Popular Name: Succinonitrile Succinonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110-61-2 , 6101-15-1 , [110-61-2] , [6101-15-1]

Download: MOL2 SDF SMILES Flexibase

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) -0.77 3.16 -11.42 0 2 0 48 80.09 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 159 / 19 TCI
BP [°C] 265 - 267 Acros Organics
Boiling_Point 265-267? Alfa-Aesar
Boiling_Point 265-267° Alfa-Aesar
MP 49 - 56 Enamine Building Blocks
MP 49...56 Enamine Building Blocks
Melting_Point 52-56? Alfa-Aesar
Melting_Point 52-56° Alfa-Aesar
Mp [°C] 57 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H332: Harmful if inhaled 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.