3,4-Dimethoxy-N-methylbenzylamine

• CAS: 63-64-9
• Catalog Number: ACM63649
• Category: Amines
• Molecular Weight: 181.23
• Molecular Formula: C₁₀H₁₅NO₂
• Synonyms: ZINC00570857, CID6957380, 63-64-9
• IUPAC Name: (3,4-dimethoxyphenyl)methyl-methylazanium
• Canonical SMILES: CNCC1=CC(=C(C=C1)OC)OC
• InChI Key: XQODFBIAQVJQHF-UHFFFAOYSA-O
• Boiling Point: 103-106ºC0.5 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 0.951 g/mL at 25ºC(lit.)
• Exact Mass: 181.11000
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S36-S37
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H15NO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 181.23 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 63-64-9.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There are 4 rotatable bond counts in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 181.110278721 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 30.5Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.