UCSF

ZINC02029762

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 2-Methylindoline 2-Methylindoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6872-06-6 , 6872/6/6

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) 2.12 -0.89 -2.91 1 1 0 12 133.194 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 51 Acros Organics
BP [°C] 227 (p=759.75 torr) Acros Organics
BP 230 TCI
Purity 95% Fluorochem
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
H phrase H412: Harmful to aquatic life with long lasting effects; H302: Harmful if swallowed Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S57: Use appropriate container to avoid environmental contamination. Acros Organics
S phrase S57: Use appropriate container to avoid environmental contamination.; S60: This material and its container must be disposed of as hazardous waste. Acros Organics
PUBCHEM_PATENT_ID US4115413 IBM Patent Data
Hazard XN: Harmful Acros Organics

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