3-Aminofluoranthene

• CAS: 2693-46-1
• Catalog Number: ACM2693461
• Category: Amines
• Molecular Weight: 217.26g/mol
• Molecular Formula: C16H11N
• IUPAC Name: fluoranthen-3-amine
• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N
• InChI: InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
• InChI Key: VHGJAFIHUSTRGB-UHFFFAOYSA-N
• Melting Point: 116.0 °C
• Complexity: 300
• Covalently-Bonded Unit Count: 1
• EC Number: 220-263-7
• Exact Mass: 217.089149g/mol
• Formal Charge: 0
• Hazard Statements: H301
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 17
• LogP: 4.2 (LogP)
• Monoisotopic Mass: 217.089149g/mol
• NSC Number: 57469
• RIDADR: UN 2735PSN1 8 / PGIII
• Rotatable Bond Count: 0
• Symbol: GHS06
• UNII: 8UN5PRH090
• XLogP3: 4.2

Custom Q&A

What is the molecular formula of 3-Aminofluoranthene?

The molecular formula of 3-Aminofluoranthene is C16H11N.

What is the molecular weight of 3-Aminofluoranthene?

The molecular weight of 3-Aminofluoranthene is 217.26 g/mol.

What is the IUPAC name of 3-Aminofluoranthene?

The IUPAC name of 3-Aminofluoranthene is fluoranthen-3-amine.

What is the InChI key of 3-Aminofluoranthene?

The InChI key of 3-Aminofluoranthene is VHGJAFIHUSTRGB-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Aminofluoranthene?

The Canonical SMILES of 3-Aminofluoranthene is C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N.

What is the CAS number of 3-Aminofluoranthene?

The CAS number of 3-Aminofluoranthene is 2693-46-1.

What is the XLogP3 value of 3-Aminofluoranthene?

The XLogP3 value of 3-Aminofluoranthene is 4.2.

How many hydrogen bond donor count does 3-Aminofluoranthene have?

3-Aminofluoranthene has 1 hydrogen bond donor count.

How many rotatable bond count does 3-Aminofluoranthene have?

3-Aminofluoranthene has 0 rotatable bond count.

Is 3-Aminofluoranthene a canonicalized compound?

Yes, 3-Aminofluoranthene is a canonicalized compound.