UCSF

ZINC01495001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 9 No

Popular Name: 4-Aminonicotinaldehyde 4-Aminonicotinaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42373-30-8 , 927891-97-2 , [42373-30-8] , [927891-97-2]

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) -0.10 0.95 -36.38 3 3 1 57 123.135 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 108-112? Alfa-Aesar
Melting_Point 108-112° Alfa-Aesar
Mp [°C] 111.2 - 112.7 Acros Organics
MP 113 - 115 Enamine Building Blocks
MP 113-115° Oakwood Chemical
MP 113...115 Enamine Building Blocks
MP 114-116° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 97-98° Matrix Scientific
Purity 98% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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

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