3H-Azepin-3-one, hexahydro-1-(phenylmethyl)-

Basic Information

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CAS Number

146407-32-1

Molecular Formula

C13H17NO

Molecular Weight

203.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Physical State

Light-red to Brown Liquid

Boiling Point

312.6℃ at 760 mmHg

SMILES

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C1CCN(CC(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2

InChIKey

HGWZSFXXGQVVAQ-UHFFFAOYSA-N

LogP

2.2416

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

209

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3H-Azepin-3-one, hexahydro-1-(phenylmethyl)-
1-BENZYL-3-OXOAZEPANE
AKOS015891594
1-benzylazepane-3-one
SY002909
SCHEMBL1366467
DS-11307
ACIDVIOLET7
AMY5556
SB33713
HGWZSFXXGQVVAQ-UHFFFAOYSA-N
MFCD10568165
1-Benzylazepan-3-one
WFA40732
CS-W003731
146407-32-1
J-504283
FT-0648397
AC-31852
DTXSID50569152
1-BENZYL-AZEPAN-3-ONE
1-Benzyl-azepan-3-one
3H-Azepin-3-one,hexahydro-1-(phenylmethyl)-
1-Benzyl-3-azepanone
PubChem20049
4461AD
RP26037
FCH1684698
TRA0059484
OR302374
AX8056705

MDL Number

MFCD10568165

FAQ

What regulatory guidelines apply to 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1)?

The compound 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for hazardous substances. Companies handling this compound must ensure compliance with local and international safety standards and regulations.

Are there alternatives to 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1) in synthesis?

Yes, there are alternative reagents that can be used in the synthesis of similar compounds, such as azepines. Common alternatives include various aza-arenes and azepine derivatives. These alternatives can offer similar functional groups and properties but with different chemical structures and reactivity profiles.

What is the market or research trend for 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1)?

The market for 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1) is driven by its applications in the pharmaceutical and medicinal chemistry sectors. Research trends indicate a growing interest in synthesizing and modifying azepines for drug development due to their potential as bioactive compounds. The trend also reflects increasing emphasis on sustainable and green chemistry practices.

How should waste containing 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1) be handled?

Waste containing 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)- (CAS: 146407-32-1) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for destroying hazardous waste, while environmental protection measures include ensuring no accidental release into the environment. Compliance with local regulations and environmental protection guidelines is essential.