UCSF

ZINC03861776

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Popular Name: 2-Amino-2-ethylpropane-1,3-diol 2-Amino-2-ethylpropane-1,3-diol

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CAS Numbers: 115-70-8 , [115-70-8]

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) -0.60 -4.9 -37.22 5 3 1 68 120.172 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 152 - 153 (p=10 torr) Acros Organics
BP 152 / 9.8 TCI
Boiling_Point 152-153?/10mm Alfa-Aesar
Boiling_Point 152-153°/10mm Alfa-Aesar
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H290: May be corrosive to metals Acros Organics
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 water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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