UCSF

ZINC02527471

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: tert-butyl 3-hydroxyazetidine-1-carboxylate tert-butyl 3-hydroxyazetidine-1-…

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CAS Numbers: 141699-55-0 , N/A , [141699-55-0]

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) 0.59 0.39 -11.69 1 4 0 50 173.212 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 39 - 44 Acros Organics
MP 40-43° Oakwood Chemical
Melting_Point 40-47? Alfa-Aesar
Melting_Point 40-47° Alfa-Aesar
MP 42 - 44 Enamine Building Blocks
MP 42-44° Matrix Scientific
MP 42...44 Enamine Building Blocks
MP 47 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics

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