UCSF

ZINC01666852

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 1-Methylnaphthalene 1-Methylnaphthalene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38072-94-5 , 6036-48-2 , 90-12-0

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) 3.55 7.3 -3.72 0 0 0 0 142.201 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 22 Acros Organics
Melting_Point 22? Alfa-Aesar
Melting_Point 22° Alfa-Aesar
BP [°C] 240 - 243 Acros Organics
Boiling_Point 240-243? Alfa-Aesar
Boiling_Point 240-243° Alfa-Aesar
BP 241 TCI
Melting_Point 89-91?(dried) Alfa-Aesar
Melting_Point 89-91°(dried) Alfa-Aesar
Patent Database Links EP1632485 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic 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.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
PUBCHEM_PATENT_ID US5830763 IBM Patent Data
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.