1-Aminopyrene

• CAS: 1606-67-3
• Catalog Number: ACM1606673
• Category: Amines
• Molecular Weight: 217.26g/mol
• Molecular Formula: C16H11N
• Description: 1-aminopyrene appears as colorless crystals. Yellow needles from hexane, melting point 117-118°C.;Solid
• IUPAC Name: pyren-1-amine
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N
• InChI: InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
• InChI Key: YZVWKHVRBDQPMQ-UHFFFAOYSA-N
• Melting Point: 243 to 244 °F (NTP, 1992);116.0 °C;115-117°C
• Complexity: 300
• Covalently-Bonded Unit Count: 1
• EC Number: 216-521-3
• Exact Mass: 217.089149g/mol
• Formal Charge: 0
• Hazard Statements: H314
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 17
• LogP: 4.31 (LogP);4.31
• Monoisotopic Mass: 217.089149g/mol
• NSC Number: 11436
• RIDADR: UN 2811 6.1 / PGIII
• Rotatable Bond Count: 0
• Symbol: GHS05
• UNII: LUW9EO1681
• XLogP3: 4.3

Custom Q&A

What is the molecular formula of 1-aminopyrene?

The molecular formula of 1-aminopyrene is C16H11N.

What is the molecular weight of 1-aminopyrene?

The molecular weight of 1-aminopyrene is 217.26 g/mol.

What are some synonyms for 1-aminopyrene?

Some synonyms for 1-aminopyrene are pyren-1-amine, 1-PYRENAMINE, and 3-Aminopyrene.

What is the InChIKey of 1-aminopyrene?

The InChIKey of 1-aminopyrene is YZVWKHVRBDQPMQ-UHFFFAOYSA-N.

What are the identifiers associated with 1-aminopyrene?

The identifiers associated with 1-aminopyrene include CAS number 1606-67-3, ChEMBL ID CHEMBL400756, and UNII LUW9EO1681.

What is the XLogP3 value of 1-aminopyrene?

The XLogP3 value of 1-aminopyrene is 4.3.

How many hydrogen bond donor counts are there in 1-aminopyrene?

There is 1 hydrogen bond donor count in 1-aminopyrene.

What is the topological polar surface area of 1-aminopyrene?

The topological polar surface area of 1-aminopyrene is 26Ų.

How many heavy atoms are there in 1-aminopyrene?

There are 17 heavy atoms in 1-aminopyrene.

Does 1-aminopyrene have any defined or undefined atom stereocenter counts?

No, 1-aminopyrene does not have any defined or undefined atom stereocenter counts.