6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine

• Catalog Number: ACMA00001112
• Category: Amines
• Molecular Weight: 216.32
• Molecular Formula: C₁₄H₁₆N₂O₃
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C14H20N2.

What is the molecular weight of the compound?

The molecular weight of the compound is 216.32 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2.

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1CC2CN(CC2NC1)CC3=CC=CC=C3.

What is the CAS number of the compound?

The CAS number of the compound is 128740-14-7.

What is the EC Number of the compound?

The EC Number of the compound is 929-459-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.9.

Is the compound canonicalized?

Yes, the compound is canonicalized.