1-(Methylamino)-3-phenyl-2-propyne

• CAS: 34706-60-0
• Catalog Number: ACM34706600
• Category: Other Products; Alkynes
• Molecular Weight: 145.20
• Molecular Formula: C₁₀H₁₁N
• Synonyms: N-Methyl-3-phenyl-2-propyn-1-amine, 34706-60-0, 1-(METHYLAMINO)-3-PHENYL-2-PROPYNE, SureCN2190233, AC1NG265, CTK4H2874, N-methyl-3-phenylprop-2-yn-1-amine, AKOS009037355, 2-Propyn-1-amine,N-methyl-3-phenyl-, AG-F-19006, KB-258987, 1-(Methylamino)-3-phenyl-2-propyne;N-Methyl-3-phenyl-2-propyn-1-amine
• IUPAC Name: N-methyl-3-phenylprop-2-yn-1-amine
• Canonical SMILES: CNCC#CC1=CC=CC=C1
• InChI Key: HXHNCCXRHHKYJM-UHFFFAOYSA-N
• Flash Point: 104ºC
• Density: 0.991 g/mL at 25ºC
• Exact Mass: 145.08900
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H11N.

What is the molecular weight of the compound?

The molecular weight of the compound is 145.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-methyl-3-phenylprop-2-yn-1-amine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,9H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is HXHNCCXRHHKYJM-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 34706-60-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.7.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.