UCSF

ZINC05138592

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 23 Yes

Popular Name: C.I. 42510 C.I. 42510

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3248-93-9 , 632-99-5 , [632-99-5]

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) 2.36 6.7 -7.56 5 3 0 76 301.393 2 ↓
Ref Reference (pH 7) 1.95 6.7 -7.25 5 3 0 76 301.393 2 ↓
Lo Low (pH 4.5-6) 1.95 6.55 -52.52 6 3 1 78 302.401 2 ↓
Lo Low (pH 4.5-6) 1.95 6.55 -52.62 6 3 1 78 302.401 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 250 Acros Organics
Melting_Point 268-270? dec. Alfa-Aesar
Melting_Point 268-270° dec. Alfa-Aesar
H phrase H351: Suspected of causing cancer Acros Organics
H phrase H351: Suspected of causing cancer; H302: Harmful if swallowed Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; 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.; R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

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