CAS
91618-22-3 Purity
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91618-22-3 Purity
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3-(Azepane-1-sulfonyl)-phenylamine
CAS
91619-39-5
Catalog Number
ACM91619395
Category
Other Products
Molecular Formula
C12H18N2O2S
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Specification
Density
1.241g/cm³
What is the molecular formula of the compound?
The molecular formula of the compound is C12H18N2O2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 254.35 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(azepan-1-ylsulfonyl)aniline.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H18N2O2S/c13-11-6-5-7-12(10-11)17(15,16)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,13H2.
What is the InChIKey of the compound?
The InChIKey of the compound is OXDMSVNDLGEMFK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N.
What is the CAS number of the compound?
The CAS number of the compound is 91619-39-5.
What is the ChEMBL ID of the compound?
The ChEMBL ID of the compound is CHEMBL4537663.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.6.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 1.
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