UCSF

ZINC03860774

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Popular Name: Tetrahydropyran-2-methanol Tetrahydropyran-2-methanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-72-1 , [100-72-1]

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) 0.56 0.12 -4.65 1 2 0 29 116.16 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 186-189? Alfa-Aesar
Boiling_Point 186-189° Alfa-Aesar
BP [°C] 187 Acros Organics
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Melting_Point <-70? Alfa-Aesar
Melting_Point <-70° Alfa-Aesar
PUBCHEM_PATENT_ID EP0251827A2; EP0251827B1 IBM Patent Data
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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