UCSF

ZINC34702233

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 7 Yes

Popular Name: D-alanine methyl ester hydrochloride D-alanine methyl ester hydrochlo…

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CAS Numbers: 114041-77-9 , 13515-97-4 , 14316-06-4 , 21705-13-5 , 2491-20-5 , [13515-97-4] , [14316-06-4]

Download: MOL2 SDF SMILES Flexibase

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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) -0.62 0.01 -5.52 2 3 0 52 103.121 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 108 TCI
MP 108-110 °C(lit.) Indofine
Melting_Point 108-110? Alfa-Aesar
Mp [°C] 109 - 111 Acros Organics
MP 109-111 °C(lit.) Indofine
Mp [°C] 157 - 158 Acros Organics
MP 157-158° Matrix Scientific
Mp [°C] 60.4 - 62.1 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks
Purity 98% Fluorochem
Purity 98+% Fluorochem
Melting_Point ca 155? dec. Alfa-Aesar
Melting_Point ca 155° dec. Alfa-Aesar
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
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 S24/25: Avoid contact with skin and eyes. 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
S phrase S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Notes USP, pyrogen free Apollo Scientific Bioactives
Hazard XI: Irritant Acros Organics

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