1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine

• Catalog Number: ACMA00002130
• Category: Ethers
• Molecular Weight: 193.24
• Molecular Formula: C₁₁H₁₄O₄
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C11H15NO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 193.24 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H15NO2/c1-8(12)9-3-4-10-11(7-9)14-6-2-5-13-10/h3-4,7-8H,2,5-6,12H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is ZKYATSWXTBXDHA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C1=CC2=C(C=C1)OCCCO2)N.

What is the CAS number of the compound?

The CAS number of the compound is 876709-21-6.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL4537344.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 3.