UCSF

ZINC19850539

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 Yes

Popular Name: tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate tert-butyl 4-(2-hydroxyethyl)pip…

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CAS Numbers: 239066-69-4 , 77279-24-4 , 867359-85-1 , N/A , [77279-24-4]

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) 0.64 0.42 -8.14 1 5 0 53 230.308 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 140°/1 Torr Matrix Scientific
MP 38-42° Oakwood Chemical
Mp [°C] 39 - 43 Acros Organics
melting_point 4.100000000000000e+001 - 4.300000000000000e+001 KeyOrganics
melting_point 41 - 43 KeyOrganics
MP 41-43° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; 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 r Acros Organics
R phrase R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

Activity (Go SEA)

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