UCSF

ZINC04287717

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 Yes

Popular Name: tert-Butyl 3-(hydroxymethyl)benzylcarbamate tert-Butyl 3-(hydroxymethyl)benz…

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CAS Numbers: 226070-69-5 , [226070-69-5]

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) 1.85 2.25 -7.43 2 4 0 59 237.299 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 51 - 55 Acros Organics
Purity 95% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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