UCSF

ZINC14136160

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 12 No

Popular Name: N'-hydroxy-4-methoxybenzenecarboximidamide N'-hydroxy-4-methoxybenzenecarbo…

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CAS Numbers: 5373-87-5 , 5373-87-5; 5373-87-5 , 635702-23-7 , [5373-87-5]

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) 0.31 0.47 -7.44 3 4 0 68 166.18 2 ↓
Ref Reference (pH 7) 0.44 0.52 -31.42 4 4 1 67 167.188 3 ↓
Ref Reference (pH 7) 0.31 0.68 -6.84 3 4 0 68 166.18 2 ↓
Mid Mid (pH 6-8) 0.44 1.63 -20.53 3 4 0 70 166.18 3 ↓
Lo Low (pH 4.5-6) 0.31 0.52 -31.44 4 4 1 69 167.188 2 ↓
Lo Low (pH 4.5-6) 0.31 0.42 -33.96 4 4 1 69 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 119 - 121 Acros Organics
MP 122 - 124 Enamine Building Blocks
MP 122...124 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95%+ Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; EUH044: Risk of explosion if heated under confinement Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R44: Risk of explosion if heated under confinement. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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