N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide

Basic Information

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CAS Number

133865-89-1

Molecular Formula

C17H19FN2O2

Molecular Weight

302.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Melting Point

212°C

Boiling Point

476.7°C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

242.1±27.3 °C

Refractive Index

1.569

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=O)N

InChI

InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1

InChIKey

NEMGRZFTLSKBAP-LBPRGKRZSA-N

LogP

2.3681

Topological Polar Surface Area

64.35 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

346

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

对热敏感

Synonyms & References

English

(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanamide
2(S)-[4-(3-Fluorobenzyloxy)benzylamino]propionamide
Safinamide
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
(S)-2-(4-(3-FLUOROBENZYLOXY)BENZYLAMINO)PROPANAMIDE
(2S)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide
(S)-(+)-2-[4-(3-fluorobenzyloxy)benzylamino]-propanamide
(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propionamide
EMD 1195686
EMD-1195686
FCE 26743
FCE-26743
(4-((3-fluorobenzyl)oxy)benzyl)-L-alanine
Xadago
90ENL74SIG
2(s)-(4-(3-fluorobenzyloxy)benzylamino)propionamide
Safinamide [USAN:INN]
2-(4-(3-Fluorobenzyloxy)benzylamino)propionamide
(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide
Safinam
(S)-2-((4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide

MDL Number

MFCD00897036

FAQ

What is N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1)?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) is a complex organic compound consisting of a L-alanine backbone with a fluorobenzyl-substituted benzyl group and an amide group. It is a white to off-white powder with a molecular weight of approximately 419.21 g/mol.

What are the main uses of N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1)?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) is primarily used in pharmaceutical research for its potential as a bioisostere in drug development. It may also be utilized in chemical synthesis as a starting material or intermediate.

Is N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) safe?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) is generally considered safe when handled properly. However, it is important to follow all safety guidelines and wear appropriate personal protective equipment (PPE) during handling. Avoid contact with eyes, skin, and inhaling the compound.

How should N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) be stored?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide (CAS: 133865-89-1) should be stored in a cool, dry place away from direct sunlight and moisture. Store in a tightly closed container to prevent degradation. Maintain a temperature range of 15-25°C (59-77°F) and keep away from heat sources and oxidizers.