UCSF

ZINC00391181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 4-Methoxy-2-methylaniline 4-Methoxy-2-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102-50-1 , 133985-88-3 , 98820-85-0 , [102-50-1] , [133985-88-3]

Download: MOL2 SDF SMILES Flexibase

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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) 1.85 2.44 -4.38 2 2 0 35 137.182 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 13 TCI
Mp [°C] 13 - 14 Acros Organics
Melting_Point 13-14? Alfa-Aesar
Melting_Point 13-14° Alfa-Aesar
MP 13...14 Enamine Building Blocks
BP [°C] 248 - 249 Acros Organics
Boiling_Point 248-249? Alfa-Aesar
Boiling_Point 248-249° Alfa-Aesar
BP 249 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Purity 99% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H351: Suspected of causing cancer Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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
Warnings Toxic Matrix Scientific
Hazard XN: Harmful Acros Organics

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