Benzenamine,4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)-

CAS
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CAS
914348-87-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM914348871

Product Name

Benzenamine,4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)-

Structure

Structure

CAS

914348-87-1

Category

Heterocyclic Organic Compound

Synonyms

4-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-trifluoromethylphenylamine, 914348-87-1, CTK7D6196, MolPort-003-823-719, ANW-51358, ZINC02529157, AKOS010149115, AG-A-66156, AK-16302, BR-16302, KB-237781, AM20050381, FT-0681382, W9412, I08-747, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)aniline, 4-[3,4-Dihydro-2(1H)-isoquinolinyl]-3-(trifluoromethyl)aniline

IUPAC Name

4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)aniline

Molecular Weight

292.3

Molecular Formula

C₁₆H₁₅F₃N₂

Canonical SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N)C(F)(F)F

InChI Key

KORPLZHXGJMWBO-UHFFFAOYSA-N

Boiling Point

434.7ºC at 760 mmHg

Flash Point

216.7ºC

Density

1.285g/cm³

Exact Mass

292.11900

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

The molecular formula is C16H15F3N2.

When was Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl) created and modified according to PubChem?

It was created on March 29, 2010, and last modified on December 30, 2023.

What is the IUPAC Name of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

The IUPAC Name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)aniline.

What is the InChIKey of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

The InChIKey is KORPLZHXGJMWBO-UHFFFAOYSA-N.

How many hydrogen bond donor count does Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl) have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

The topological polar surface area is 29.3 Å².

How many heavy atoms are present in Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

There are 21 heavy atoms.

Is the compound of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl) canonicalized?

Yes, the compound is canonicalized.

What is the exact mass and monoisotopic mass of Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl)?

The exact mass and monoisotopic mass are 292.11873297 g/mol.

How many rotatable bond counts does Benzenamine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(trifluoromethyl) have?

It has 1 rotatable bond count.

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