2-Methyl-2-propanyl 3-azepanylcarbamate

Basic Information

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CAS Number

454451-26-4

Molecular Formula

C11H22N2O2

Molecular Weight

214.31 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

323 ºC

Flash Point

149 ºC

SMILES

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CC(C)(C)OC(=O)NC1CCCCNC1

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)

InChIKey

NZEPWAXJSWYEDV-UHFFFAOYSA-N

LogP

1.6532

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Synonyms & References

English

tert-Butyl azepan-3-ylcarbamate
Carbamic acid, N-(hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester
N-(Hexahydro-1H-azepin-3-yl)carbaMic acid tert-butyl ester
CarbaMic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-diMethylethyl ester
(Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester
N-(Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester
3-Boc-amino-azepane
N-Boc-3-aminoazepane
tert-butyl N-(azepan-3-yl)carbamate
Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI)

MDL Number

MFCD11506198

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4)?

The 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for chemical classification, handling, and disposal. Specific guidelines include labelling, safe handling practices, and environmental protection measures.

Are there alternatives to 2-Methyl-2-propanyl 3-azepanylcarbamate in synthesis?

Alternatives to 2-Methyl-2-propanyl 3-azepanylcarbamate in synthesis include 2-Propylazepane or other azepane derivatives. Common alternatives include reagents such as 3-Azabicyclo[3.1.0]hexane or 6-Azabicyclo[3.1.0]hexane, which can serve similar functions in various chemical reactions.

What is the market or research trend for 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4)?

The market for 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4) is growing due to its applications in pharmaceuticals and materials science. Research trends focus on its use as a precursor in medicinal chemistry and polymer synthesis. Demand is expected to increase with the development of new formulations and innovative uses.

How should waste containing 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4) be handled?

Waste containing 2-Methyl-2-propanyl 3-azepanylcarbamate (CAS: 454451-26-4) should be collected in appropriate containers, labeled as hazardous, and disposed of by a professional waste disposal service. Ensure proper incineration or other environmentally friendly disposal methods are employed, following local and international regulations to prevent environmental contamination.