N-Methyl-3-phenyl-2-propen-1-amine

• Catalog Number: ACM83554670
• Product Name: N-Methyl-3-phenyl-2-propen-1-amine
• CAS: 83554-67-0
• Category: Ethers
• Synonyms: CHEMBRDG-BB 9070687;N-METHYL-3-PHENYL-2-PROPEN-1-AMINE
• Molecular Weight: 147.22
• Molecular Formula: C₉H₉NO₂S
• Hazard Statements: H302-H318
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H13N.

What is the molecular weight of the compound?

The molecular weight of the compound is 147.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (E)-N-methyl-3-phenylprop-2-en-1-amine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+.

What is the InChIKey of the compound?

The InChIKey of the compound is RHPMSSCVPPONDM-VMPITWQZSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CNCC=CC1=CC=CC=C1.

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.

Is the compound canonicalized?

Yes, the compound is canonicalized.