UCSF

ZINC00157147

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 4-(DIETHYLAMINO)BENZALDEHYDE 4-(DIETHYLAMINO)BENZALDEHYDE

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CAS Numbers: 120-21-8 , [120-21-8]

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) 2.58 2.11 -7.03 0 2 0 20 177.247 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 173-175?/7mm Alfa-Aesar
Boiling_Point 173-175°/7mm Alfa-Aesar
BP [°C] 174 (p=7 torr) Acros Organics
BP 174 / 7 TCI
Mp [°C] 38 - 41 Acros Organics
MP 39 - 41 Enamine Building Blocks
Melting_Point 39-41? Alfa-Aesar
Melting_Point 39-41° Alfa-Aesar
MP 39...41 Enamine Building Blocks
MP 42 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H311: Toxic in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H312: Harmful in contact with skin 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 Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21: Harmful in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

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