UCSF

ZINC01622057

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 1-Phenyl-1-propanol 1-Phenyl-1-propanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1565-74-8 , 613-87-6 , 93-54-9 , [93-54-9]

Download: MOL2 SDF SMILES Flexibase

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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) 2.00 3.6 -3.06 1 1 0 20 136.194 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 212 TCI
Boiling_Point 217-219? Alfa-Aesar
Boiling_Point 217-219° Alfa-Aesar
BP [°C] 219 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
P phrase 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
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5212311 IBM Patent Data
Hazard XN: Harmful Acros Organics

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