UCSF

ZINC00388163

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: TRANS-1,4-CYCLOHEXANEDIMETHANOL TRANS-1,4-CYCLOHEXANEDIMETHANOL

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CAS Numbers: 105-08-8 , 3236-48-4 , 377085-57-9 , 53148-32-6 , 589-29-7 , [105-08-8] , [3236-48-4]

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) 0.73 -0.54 -4.7 2 2 0 40 144.214 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 117-121? Alfa-Aesar
Melting_Point 117-121° Alfa-Aesar
Boiling_Point 138-143?/1mm Alfa-Aesar
Boiling_Point 138-143°/1mm Alfa-Aesar
BP 162 / 9.8 TCI
BP 164 / 12 TCI
Boiling_Point 282-284? Alfa-Aesar
Boiling_Point 282-284° Alfa-Aesar
Mp [°C] 61 - 66 Acros Organics
MP 67 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 30? Alfa-Aesar
Melting_Point ca 30° Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase 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 and easy to do. Continue rinsing Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. Acros Organics

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