CAS
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1-(4-Methoxyphenyl)-N-methylethanamine hydrochloride
Catalog Number
ACMA00001987
Category
Ethers
Molecular Weight
201.69
Molecular Formula
C10H15NO2
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C10H16ClNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 201.69 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(4-methoxyphenyl)-N-methylethanamine hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H15NO.ClH/c1-8(11-2)9-4-6-10(12-3)7-5-9;/h4-8,11H,1-3H3;1H.
What is the InChIKey of the compound?
The InChIKey of the compound is XZEIXLRGIVAJMR-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is CC(C1=CC=C(C=C1)OC)NC.Cl.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 21.3Ų.
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