CAS
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N-(2-Methylbenzyl)propan-2-amine
Catalog Number
ACMA00000923
Category
Amines
Molecular Weight
163.26
Molecular Formula
C11H16N2OS
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Specification
Hazard Statements
H301
RIDADR
UN 1708 6.1 / PGII
Symbol
GHS06
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-[(2-methylphenyl)methyl]propan-2-amine.
What is the molecular weight of the compound?
The molecular weight of the compound is 163.26 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H17N/c1-9(2)12-8-11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is UZZWRYCILDHXEC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=CC=CC=C1CNC(C)C.
What is the CAS number of the compound?
The CAS number of the compound is 91338-98-6.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.5.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 1 hydrogen bond acceptor count.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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