4-Phenylazepane


Chemical Name: 4-Phenylazepane
CAS Number: 7500-40-5
Product Number: AG00G87S(AGN-PC-05RCYI)
Synonyms:
MDL No:
Molecular Formula: C12H18ClN
Molecular Weight: 211.7310

Identification/Properties


Computed Properties
Molecular Weight:
211.733g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
211.113g/mol
Monoisotopic Mass:
211.113g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1H-Azepine, hexahydro-4-phenyl-, hydrochloride (1:1) is a chemical compound that finds valuable applications in chemical synthesis processes. It serves as a versatile building block in the creation of various organic compounds due to its unique structural properties. This compound acts as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. By incorporating 1H-Azepine, hexahydro-4-phenyl-, hydrochloride (1:1) into reaction schemes, chemists can access diverse molecular structures that are essential for the development of new materials and compounds. Its presence often enhances the efficiency and selectivity of reactions, making it a valuable tool for organic synthesis.