UCSF

ZINC06731959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 11 Yes

Popular Name: D-PHENYLALANINOL D-PHENYLALANINOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16088-07-6 , 3182-95-4 , 5267-64-1 , 61366-43-6 , 63113-84-8 , 673-06-3 , [16088-07-6]

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) 0.35 0.74 -38.57 4 2 1 48 152.217 3 ↓
Hi High (pH 8-9.5) 0.35 0.35 -4.73 3 2 0 46 151.209 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 122 / 4 TCI
BP 130 / 3 TCI
Mp [°C] 64 - 72 Acros Organics
Melting_Point 69-73? Alfa-Aesar
MP 71 TCI
Melting_Point 89-94? Alfa-Aesar
Melting_Point 89-94° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
Mp [°C] 90 - 94 Acros Organics
MP 92 - 94 Enamine Building Blocks
MP 92-93° Matrix Scientific
MP 92...94 Enamine Building Blocks
MP 93 TCI
MP 93 - 95 Enamine Building Blocks
MP 93-95 °C(lit.) Indofine
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.