UCSF

ZINC00157578

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2-Methoxy-5-methylaniline 2-Methoxy-5-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Number: 120-71-8

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) 1.85 2.45 -3.8 2 2 0 35 137.182 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 235 Acros Organics
BP 235° Oakwood Chemical
Mp [°C] 49 - 55 Acros Organics
MP 50 - 52 Enamine Building Blocks
MP 50-52° Oakwood Chemical
MP 50...52 Enamine Building Blocks
MP 52 TCI
MP 52 - 54 Enamine Building Blocks
M.P 57-59 C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Purity 99% Fluorochem
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R22: Harmful if swallowed. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics
PUBCHEM_PATENT_ID WO2000049004A1 IBM Patent Data

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