UCSF

ZINC01433072

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: (1R,2S)-Boc-Achc (1R,2S)-Boc-Achc

Find On: PubMed — Wikipedia — Google

CAS Numbers: 209128-50-7 , 220760-49-6 , 352356-38-8 , 488703-60-2 , 63216-49-9 , [352356-38-8]

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) 3.95 0.48 -50 1 5 -1 78 242.295 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 121-125o C Indofine
Mp [°C] 127 - 131 Acros Organics
MP 127-131 °C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Boiling_Point n.d. Squarix
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
PUBCHEM_PATENT_ID WO2000018725A1 IBM Patent Data
Hazard XI: Irritant Acros Organics

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