UCSF

ZINC20358003

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 11 Yes

Popular Name: ethyl morpholine-2-carboxylate ethyl morpholine-2-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107904-06-3 , 1111640-52-8 , 135072-31-0 , 135782-25-1 , [107904-06-3] , [1111640-52-8] , [135072-31-0] , [135782-25-1]

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) -0.18 2.4 -50.24 2 4 1 52 160.193 3 ↓
Mid Mid (pH 6-8) -0.18 0.99 -7.12 1 4 0 48 159.185 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 103 - 105 (p=1 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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 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.; S45: In case of accident or if Acros Organics

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