3-Amino-N,N-diethylbenzamide

• CAS: 70714-71-5
• Catalog Number: ACM70714715
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 192.26
• Molecular Formula: C₁₂H₈ClFO₂S
• Synonyms: 2-Naphthalenesulfonic acid,7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-hydroxy-,monosodium salt; Sodium 7-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-4-hydroxynaphthalene-2-sulphonate; sodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxyn
• IUPAC Name: sodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonate
• Canonical SMILES: C1=CC2=C(C=C(C=C2C=C1NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)[O-])O.[Na+]
• InChI Key: WAWGVMJAKPOFRZ-UHFFFAOYSA-M
• EC Number: 274-802-6
• Exact Mass: 408.97100
• Hazard Statements: H302-H315-H318-H335-H400
• H-Bond Acceptor: 9
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Amino-N,N-diethylbenzamide?

The molecular formula of 3-Amino-N,N-diethylbenzamide is C11H16N2O.

What is the molecular weight of 3-Amino-N,N-diethylbenzamide?

The molecular weight of 3-Amino-N,N-diethylbenzamide is 192.26 g/mol.

What is the InChIKey of 3-Amino-N,N-diethylbenzamide?

The InChIKey of 3-Amino-N,N-diethylbenzamide is PECCRTHITMTOJM-UHFFFAOYSA-N.

How many hydrogen bond donor counts are present in 3-Amino-N,N-diethylbenzamide?

There is 1 hydrogen bond donor count present in 3-Amino-N,N-diethylbenzamide.

What is the topological polar surface area of 3-Amino-N,N-diethylbenzamide?

The topological polar surface area of 3-Amino-N,N-diethylbenzamide is 46.3 Å2.

Is 3-Amino-N,N-diethylbenzamide a canonicalized compound?

Yes, 3-Amino-N,N-diethylbenzamide is a canonicalized compound.

What is the XLogP3 value of 3-Amino-N,N-diethylbenzamide?

The XLogP3 value of 3-Amino-N,N-diethylbenzamide is 0.6.

How many rotatable bond counts are there in 3-Amino-N,N-diethylbenzamide?

There are 3 rotatable bond counts in 3-Amino-N,N-diethylbenzamide.

What is the complexity value of 3-Amino-N,N-diethylbenzamide?

The complexity value of 3-Amino-N,N-diethylbenzamide is 190.

When was the structure of 3-Amino-N,N-diethylbenzamide created and last modified?

The structure of 3-Amino-N,N-diethylbenzamide was created on 2005-03-26 and last modified on 2023-12-23.