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CAS 1384268-59-0

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Carbamic acid, N-[(3S)-hexahydro-1H-azepin-3-yl]-, phenylmethyl ester, hydrochloride (1:1)

Description:
Carbamic acid, N-[(3S)-hexahydro-1H-azepin-3-yl]-, phenylmethyl ester, hydrochloride (1:1) is a chemical compound characterized by its structural components, which include a carbamic acid moiety and a hexahydro-1H-azepin derivative. The presence of the phenylmethyl ester indicates that it has an aromatic group attached to the carbamic acid, which can influence its solubility and reactivity. The hydrochloride form suggests that the compound is a salt, enhancing its stability and solubility in aqueous solutions. This compound may exhibit biological activity due to its structural features, potentially interacting with biological targets. Its stereochemistry, particularly the (3S) configuration, is crucial for its biological properties and activity. As with many compounds containing nitrogen and oxygen functionalities, it may participate in hydrogen bonding, affecting its physical properties such as melting point and solubility. Safety and handling precautions should be observed, as with all chemical substances, particularly those with potential pharmacological applications.
Formula:C14H20N2O2·ClH
InChI:InChI=1S/C14H20N2O2.ClH/c17-14(16-13-8-4-5-9-15-10-13)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H/t13-;/m0./s1
InChI key:InChIKey=KIYNSUYGQIRGIM-ZOWNYOTGSA-N
SMILES:N(C(OCC1=CC=CC=C1)=O)[C@H]2CCCCNC2.Cl
Synonyms:
  • Carbamic acid, N-[(3S)-hexahydro-1H-azepin-3-yl]-, phenylmethyl ester, hydrochloride (1:1)
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