CAS
31736-73-9 Purity
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31736-73-9 Purity
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3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
CAS
31898-11-0
Catalog Number
ACM31898110
Category
Bromine Series
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What is the molecular formula of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The molecular formula is C14H25BrClN.
What is the molecular weight of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The molecular weight is 322.71 g/mol.
What is the IUPAC name of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The IUPAC name is 1-[(5S,7R)-3-bromo-1-adamantyl]-N-methylpropan-2-amine;hydrochloride.
What is the InChI of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The InChI is InChI=1S/C14H24BrN.ClH/c1-10(16-2)4-13-5-11-3-12(6-13)8-14(15,7-11)9-13;/h10-12,16H,3-9H2,1-2H3;1H/t10?,11-,12+,13?,14?.
What is the InChIKey of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The InChIKey is IBLIMURONGSVLV-UYFQCTILSA-N.
What is the canonical SMILES of 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride?
The canonical SMILES is CC(CC12CC3CC(C1)CC(C3)(C2)Br)NC.Cl.
How many hydrogen bond donor counts does 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride have?
It has 1 hydrogen bond acceptor count.
How many rotatable bond counts does 3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride have?
It has 3 rotatable bond counts.
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