UCSF

ZINC00388059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

Popular Name: 2,2-Bis(hydroxymethyl)propionic acid 2,2-Bis(hydroxymethyl)propionic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3/7/4767 12:00:00 AM , 4767-03-7 , 4767/3/7 , [4767-03-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.09 -3.97 -48.28 2 4 -1 80 133.123 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 185 TCI
Mp [°C] 185 - 190 Acros Organics
Melting_Point 187-191? Alfa-Aesar
Melting_Point 187-191° Alfa-Aesar
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R36/37: Irritating to eyes and respiratory system. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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