CAS
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n3-(2-Phenylethyl)-beta-alaninamide
Catalog Number
ACMA00000926
Category
Amines
Molecular Weight
192.26
Molecular Formula
C11H16N2O
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Specification
Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(2-phenylethylamino)propanamide.
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 InChI key of the compound?
The InChI key of the compound is MGFDDFHJSUZRFK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)CCNCCC(=O)N.
What is the CAS number of the compound?
The CAS number of the compound is 4091-84-3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.6.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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