(3R)-3-(benzylamino)azepan-2-one

Basic Information

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CAS Number

955114-24-6

Molecular Formula

C13H18N2O

Molecular Weight

218.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.09±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1CCNC(=O)C(C1)NCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)/t12-/m1/s1

InChIKey

JRGFAORRKSDLLX-GFCCVEGCSA-N

LogP

1.4448999999999996

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

224

Synonyms & References

English

(3R)-3-(benzylamino)azepan-2-one
955114-24-6
DTXSID50654517
(3R)-hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one
(R)-3-(benzylamino)azepan-2-one
J-501249
AS-60724
AKOS024438226
(3R)-HEXAHYDRO-3-[(PHENYLMETHYL)AMINO]-2H-AZEPIN-2-ONE
(3R)-3-(Benzylamino)hexahydro-2H-azepin-2-one

MDL Number

MFCD24604223

FAQ

What regulatory guidelines apply to (3R)-3-(benzylamino)azepan-2-one (CAS: 955114-24-6)?

The compound (3R)-3-(benzylamino)azepan-2-one (CAS: 955114-24-6) is regulated under various guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the United States. It must be classified and labeled according to its potential health and environmental hazards.

Are there alternatives to (3R)-3-(benzylamino)azepan-2-one in synthesis?

For the synthesis of (3R)-3-(benzylamino)azepan-2-one, alternatives include using related azepanes or other nitrogen-containing heterocycles. Common reagents like benzylamine and azepane can be used as substitutes, depending on the specific reaction conditions and desired yield.

What is the market or research trend for (3R)-3-(benzylamino)azepan-2-one?

The market for (3R)-3-(benzylamino)azepan-2-one is growing due to its potential applications in pharmaceuticals and materials science. Research trends focus on its use in developing new drugs and as a building block for more complex molecules. The compound is also being explored for its biodegradability and eco-friendliness.

How should waste containing (3R)-3-(benzylamino)azepan-2-one be handled?

Waste containing (3R)-3-(benzylamino)azepan-2-one should be collected and disposed of in accordance with local and national regulations. It is recommended to incinerate the waste or use professional waste disposal services to ensure proper treatment and minimize environmental impact. Always follow safety guidelines and use appropriate personal protective equipment during handling and disposal.