UCSF

ZINC12360037

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 16 Yes

Popular Name: (S)-(-)-N-Benzyl-1-phenylethylamine (S)-(-)-N-Benzyl-1-phenylethylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 128593-66-8 , 17480-69-2 , 3193-62-2 , 38235-77-7 , 49746-32-9 , [17480-69-2]

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) 3.45 8.89 -39.14 2 1 1 17 212.316 4 ↓
Hi High (pH 8-9.5) 3.45 7.75 -2.44 1 1 0 12 211.308 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 109 Enamine Building Blocks
MP 106...109 Enamine Building Blocks
BP [°C] 129 (p=3 torr) Acros Organics
Boiling_Point 171?/15mm Alfa-Aesar
Boiling_Point 171°/15mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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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