CAS
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N-[4-(Aminomethyl)phenyl]-2-methylpropanamide
Catalog Number
ACMA00000927
Category
Amines
Molecular Weight
192.26
Molecular Formula
C11H16N2O
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Specification
Hazard Statements
H317
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C11H16N2O.
What is the molecular weight of the compound?
The molecular weight of the compound is 192.26 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-[4-(aminomethyl)phenyl]-2-methylpropanamide.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C11H16N2O/c1-8(2)11(14)13-10-5-3-9(7-12)4-6-10/h3-6,8H,7,12H2,1-2H3,(H,13,14).
What is the InChIKey of the compound?
The InChIKey of the compound is AFYFHAHVKBQZOZ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)C(=O)NC1=CC=C(C=C1)CN.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 0.8.
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.
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