UCSF

ZINC04899452

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 12 Yes

Popular Name: H-Pro-OtBu H-Pro-OtBu

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113131-45-6 , 184719-80-0 , 256478-96-3 , 2812-46-6 , 5497-76-7 , [2812-46-6] , [5497-76-7]

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) 1.54 4.59 -35.39 2 3 1 43 172.248 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-112? Alfa-Aesar
Melting_Point 110-112° Alfa-Aesar
MP 110-112°C Indofine
MP 136 - 138 Enamine Building Blocks
MP 136...138 Enamine Building Blocks
MP 139 - 141 Enamine Building Blocks
BP 219° Matrix Scientific
BP [°C] 50 - 51 (p=1 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% min APIChem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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