UCSF

ZINC00056395

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.67 2.52 -6.7 4 4 0 71 244.294 3

Vendor Notes

Note Type Comments Provided By
mp 107 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 134-138? Alfa-Aesar
Melting_Point 134-138° Alfa-Aesar
Mp [°C] 135 - 139 Acros Organics
MP 137 - 138 Enamine Building Blocks
MP 137...138 Enamine Building Blocks
MP 138 TCI
Mp [°C] 268 Acros Organics
Melting_Point 268? dec. Alfa-Aesar
Melting_Point 268° dec. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H350: May cause cancer; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H302: Harmful if swallowed Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear 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; P201: Obtain special instructions before use; P308 + P313: IF e 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; P310: Immediately call a Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R22: Harmful if swallowed. Acros Organics
R phrase R45: May cause cancer.; R22: Harmful if swallowed.; R35: Causes severe burns. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

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