CAS
97468-37-6 Purity
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97468-37-6 Purity
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1-(8-Bromooctyl)-3-carbamoylpyridinium bromide
CAS
97478-05-2
Catalog Number
ACM97478052
Category
Other Products
Molecular Weight
394.14500
Molecular Formula
C14H22Br2N2O
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Specification
IUPAC Name
Pyridinium, 3-(aminocarbonyl)-1-(8-bromooctyl)-, bromide
Exact Mass
392.01000
What is the IUPAC name of the compound?
1-(8-bromooctyl)pyridin-1-ium-3-carboxamide;bromide
What is the InChI of the compound?
InChI=1S/C14H21BrN2O.BrH/c15-9-5-3-1-2-4-6-10-17-11-7-8-13(12-17)14(16)18;/h7-8,11-12H,1-6,9-10H2,(H-,16,18);1H
What is the InChIKey of the compound?
OYPMHOZEIROGOF-UHFFFAOYSA-N
What is the canonical SMILES of the compound?
C1=CC(=C[N+](=C1)CCCCCCCCBr)C(=O)N.[Br-]
What is the molecular formula of the compound?
C14H22Br2N2O
What is the molecular weight of the compound?
394.14 g/mol
How many hydrogen bond donor counts does the compound have?
1
How many hydrogen bond acceptor counts does the compound have?
2
How many rotatable bond counts does the compound have?
9
Is the compound canonicalized?
Yes
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CAS
97480-49-4 Purity
96%
97480-49-4 Purity
96%
