UCSF

ZINC08585903

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 9 No

Popular Name: N,N'-Diisopropylcarbodiimide N,N'-Diisopropylcarbodiimide

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CAS Numbers: 693-13-0 , [693-13-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.46 5.4 -2.74 0 2 0 25 126.203 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 145 - 148 Acros Organics
Boiling_Point 145-148? Alfa-Aesar
Boiling_Point 145-148° Alfa-Aesar
Purity 99% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H317: May cause an allergic skin reaction; H335: May cause respiratory irritation; H330: Fatal if inhaled; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H318: Causes serious eye damage; H226 Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P260: Do not breathe dust/fume/gas/mist/vapors Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R26: Very toxic by inhalation.; R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes.; R42/43: May cause sensitisation by inhalation and skin contact. Acros Organics
Hazard T+: Very toxic Acros Organics

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

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