3-Methoxyphenethylamine

• Catalog Number: ACM2039670
• Product Name: 3-Methoxyphenethylamine
• CAS: 2039-67-0
• Category: Heterocyclic Organic Compound
• Synonyms: 2-(3-Methoxyphenyl)ethanamine
• Molecular Weight: 151.21
• Molecular Formula: C₉H₁₃NO
• InChI: InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
• InChI Key: WJBMRZAHTUFBGE-UHFFFAOYSA-N
• Boiling Point: 118-119°C6mm Hg(lit.)
• Melting Point: 118-119 °C
• Flash Point: >230°F
• Density: 1.038g/mL at 25°C(lit.)
• Complexity: 106
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 151.099714038
• Hazard Statements: C,Xi
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 151.099714038
• Physical State: Liquid
• Rotatable Bond Count: 3
• Safety Description: 26-36/37/39-45-27
• Supplemental Hazard Statements: H318-H314
• Symbol: GHS05
• Topological Polar Surface Area: 35.2 Ų

Custom Q&A

What is the molecular formula of 3-Methoxyphenethylamine?

The molecular formula of 3-Methoxyphenethylamine is C9H13NO.

What is the molecular weight of 3-Methoxyphenethylamine?

The molecular weight of 3-Methoxyphenethylamine is 151.21 g/mol.

What is the IUPAC name of 3-Methoxyphenethylamine?

The IUPAC name of 3-Methoxyphenethylamine is 2-(3-methoxyphenyl)ethanamine.

What is the InChIKey of 3-Methoxyphenethylamine?

The InChIKey of 3-Methoxyphenethylamine is WJBMRZAHTUFBGE-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methoxyphenethylamine?

The canonical SMILES of 3-Methoxyphenethylamine is COC1=CC=CC(=C1)CCN.

What is the CAS number of 3-Methoxyphenethylamine?

The CAS number of 3-Methoxyphenethylamine is 2039-67-0.

What is the XLogP3 value of 3-Methoxyphenethylamine?

The XLogP3 value of 3-Methoxyphenethylamine is 1.6.

How many hydrogen bond donor counts does 3-Methoxyphenethylamine have?

3-Methoxyphenethylamine has one hydrogen bond donor.

How many hydrogen bond acceptor counts does 3-Methoxyphenethylamine have?

3-Methoxyphenethylamine has two hydrogen bond acceptors.

How many rotatable bond counts does 3-Methoxyphenethylamine have?

3-Methoxyphenethylamine has three rotatable bonds.