1,4-Diazepan-5-one hydrochloride

Name: 1,4-Diazepan-5-one hydrochloride
Brand: ChemScene
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CAS No. 208245-76-5
Cat. No. CS-W003673
Purity≥95%
MDL No.MFCD09864983

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,4-Diazepan-5-one hydrochloride|CS-W003673

Structure of 208245-76-5

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General Information

CAS No. 208245-76-5
Cat. No. CS-W003673
Purity ≥95%
MDL No. MFCD09864983
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₁₁ClN₂O
Molecular Weight 150.61
Synonym(s) Homopiperazin-5-one hydrochloride, 5-Oxo-1,4-diazepane hydrochloride; 1,4-Diazepan-5-one hydrochloride
SMILES O=C1NCCNCC1.Cl

Description

1,4-Diazepan-5-one hydrochloride is a bench-stable heterocyclic compound featuring a cyclic amide moiety within a seven-membered ring. This structure imparts enhanced solubility and stability under standard conditions, facilitating its use in medicinal chemistry workflows. The hydrochloride salt form improves handling and crystallinity, enabling straightforward incorporation into synthetic sequences for drug discovery applications.

Application

1,4-Diazepan-5-one hydrochloride serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to saturated 1,4-diazepine scaffolds. Its amide functionality offers enhanced metabolic stability and hydrogen-bonding capacity, while the hydrochloride salt form improves solubility and crystallinity for handling and purification. The compound functions as a key intermediate in the synthesis of kinase inhibitors and CNS-targeted therapeutics, demonstrating broad compatibility with standard coupling and reductive amination protocols.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 41.13
LogP -0.4823
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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1,4-Diazepan-5-one hydrochloride

CAS No. 208245-76-5

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