1,2,3,4-Tetrahydroquinoline

• CAS: 635-46-1
• Catalog Number: ACM635461
• Category: Quinolines
• Molecular Weight: 133.194g/mol
• Molecular Formula: C9H11N
• Synonyms: 51970-EP2286811A1; benzopiperidine; 1,2,3,4-Hydroquinoline; 15618-EP2316837A1; BBL027602; NCGC00188132-01; CHEBI:213323; 1,2,3,4 tetrahydroquinoline; TRA0087230; CJ-28881
• IUPAC Name: 1,2,3,4-tetrahydroquinoline
• Canonical SMILES: C1CC2=CC=CC=C2NC1
• InChI: InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
• InChI Key: LBUJPTNKIBCYBY-UHFFFAOYSA-N
• Melting Point: 20.0°C
• Storage: Room temperature.
• Complexity: 111
• Covalently-Bonded Unit Count: 1
• EC Number: 211-237-6
• Exact Mass: 133.089g/mol
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 10
• Monoisotopic Mass: 133.089g/mol
• NSC Number: 15311
• Octanol Water Partition Coefficient: 2.29 (LogP)
• Topological Polar Surface Area: 12A^2
• UNII: CCR50N1Z9G

Custom Q&A

What is the molecular formula of 1,2,3,4-Tetrahydroquinoline?

The molecular formula of 1,2,3,4-Tetrahydroquinoline is C9H11N.

What is the molecular weight of 1,2,3,4-Tetrahydroquinoline?

The molecular weight of 1,2,3,4-Tetrahydroquinoline is 133.19 g/mol.

What is the IUPAC name of 1,2,3,4-Tetrahydroquinoline?

The IUPAC name of 1,2,3,4-Tetrahydroquinoline is 1,2,3,4-tetrahydroquinoline.

What is the canonical SMILES of 1,2,3,4-Tetrahydroquinoline?

The canonical SMILES of 1,2,3,4-Tetrahydroquinoline is C1CC2=CC=CC=C2NC1.

What is the InChIKey of 1,2,3,4-Tetrahydroquinoline?

The InChIKey of 1,2,3,4-Tetrahydroquinoline is LBUJPTNKIBCYBY-UHFFFAOYSA-N.

What is the CAS number of 1,2,3,4-Tetrahydroquinoline?

The CAS number of 1,2,3,4-Tetrahydroquinoline is 635-46-1.

What is the XLogP3 value of 1,2,3,4-Tetrahydroquinoline?

The XLogP3 value of 1,2,3,4-Tetrahydroquinoline is 2.3.

How many hydrogen bond donor counts does 1,2,3,4-Tetrahydroquinoline have?

1,2,3,4-Tetrahydroquinoline has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does 1,2,3,4-Tetrahydroquinoline have?

1,2,3,4-Tetrahydroquinoline has one hydrogen bond acceptor count.

How many rotatable bond counts does 1,2,3,4-Tetrahydroquinoline have?

1,2,3,4-Tetrahydroquinoline has zero rotatable bond count.