4-Isobutylamino-3-nitroquinoline

CAS

99009-85-5

Catalog Number

ACM99009855

Category

Other Products

Molecular Weight

245.28

Molecular Formula

C₁₃H₁₅N₃O₂

MSDS COA Spec Sheet

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Specification

Synonyms

N-(2-METHYLPROPYL)-3-NITRO-4-QUINOLINAMINE;N-(2-METHYLPROPYL)-3-NITRO-4-QUINOLINEAMINE;4-Isobutylamino-3-Nitro-Quinoline;4-Isobutylamino-3-Nitroquinoline 99009-85-5;4-Quinolinamine, N-(2-methylpropyl)-3-nitro-

IUPAC Name

N-(2-methylpropyl)-3-nitroquinolin-4-amine

InChI Key

CDUWBBGUDMBQDE-UHFFFAOYSA-N

Boiling Point

398.022ºC at 760 mmHg

Flash Point

194.517ºC

Density

1.239g/cm³

Exact Mass

245.11600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Isobutylamino-3-nitroquinoline?

The molecular formula of 4-Isobutylamino-3-nitroquinoline is C13H15N3O2.

When was the PubChem CID for 4-Isobutylamino-3-nitroquinoline created and last modified?

The PubChem CID for 4-Isobutylamino-3-nitroquinoline was created on 2006-10-26 and last modified on 2023-12-30.

What is the molecular weight of 4-Isobutylamino-3-nitroquinoline?

The molecular weight of 4-Isobutylamino-3-nitroquinoline is 245.28 g/mol.

What are some synonyms for 4-Isobutylamino-3-nitroquinoline?

Some synonyms for 4-Isobutylamino-3-nitroquinoline include N-Isobutyl-3-nitroquinolin-4-amine and N-(2-methylpropyl)-3-nitroquinolin-4-amine.

What is the IUPAC name of 4-Isobutylamino-3-nitroquinoline?

The IUPAC name of 4-Isobutylamino-3-nitroquinoline is N-(2-methylpropyl)-3-nitroquinolin-4-amine.

What is the Canonical SMILES representation of 4-Isobutylamino-3-nitroquinoline?

The Canonical SMILES representation of 4-Isobutylamino-3-nitroquinoline is CC(C)CNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-].

How many hydrogen bond donor counts does 4-Isobutylamino-3-nitroquinoline have?

4-Isobutylamino-3-nitroquinoline has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Isobutylamino-3-nitroquinoline?

The topological polar surface area of 4-Isobutylamino-3-nitroquinoline is 70.7?2.

How many rotatable bond counts does 4-Isobutylamino-3-nitroquinoline have?

4-Isobutylamino-3-nitroquinoline has 3 rotatable bond counts.

Is 4-Isobutylamino-3-nitroquinoline considered as a canonicalized compound?

Yes, 4-Isobutylamino-3-nitroquinoline is considered as a canonicalized compound.