UCSF

ZINC96034860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2014 0 No

Popular Name: Diaminomaleonitrile Diaminomaleonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1187-42-4 , 18514-52-8 , [1187-42-4]

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) -0.56 -1.07 -9.54 4 4 0 100 108.104 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 178 - 179 Acros Organics
MP 178-179° Fluorochem
Melting_Point 178-182? dec. Alfa-Aesar
Melting_Point 178-182° dec. Alfa-Aesar
Purity 98% Fluorochem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin; EUH032: Contact with acids liberates very toxic gas Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R32: Contact with acids liberates very toxic gas. Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

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