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2-Phenyl-5-propylpyrazine

CAS
94021-40-6
Catalog Number
ACM94021406
Category
Other Products
Molecular Weight
198.263660 [g/mol]
Molecular Formula
C13H14N2

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Specification

Synonyms
2-Phenyl-5-propylpyrazine, EINECS 301-435-1, CID3023272, 94021-40-6
IUPAC Name
2-phenyl-5-propylpyrazine
Canonical SMILES
CCCC1=NC=C(N=C1)C2=CC=CC=C2
InChI Key
LEOYBBISWJJHQM-UHFFFAOYSA-N
Boiling Point
308.9ºC at 760mmHg
Flash Point
116.7ºC
Density
1.04g/cm³
EC Number
301-435-1
Exact Mass
198.11600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Phenyl-5-propylpyrazine?

The molecular formula of 2-Phenyl-5-propylpyrazine is C13H14N2.

When was 2-Phenyl-5-propylpyrazine created and last modified?

2-Phenyl-5-propylpyrazine was created on August 8, 2005, and last modified on December 30, 2023.

What is the IUPAC name of 2-Phenyl-5-propylpyrazine?

The IUPAC name of 2-Phenyl-5-propylpyrazine is 2-phenyl-5-propylpyrazine.

What is the InChIKey of 2-Phenyl-5-propylpyrazine?

The InChIKey of 2-Phenyl-5-propylpyrazine is LEOYBBISWJJHQM-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Phenyl-5-propylpyrazine?

The Canonical SMILES of 2-Phenyl-5-propylpyrazine is CCCC1=CN=C(C=N1)C2=CC=CC=C2.

What is the molecular weight of 2-Phenyl-5-propylpyrazine?

The molecular weight of 2-Phenyl-5-propylpyrazine is 198.26 g/mol.

How many hydrogen bond acceptor counts does 2-Phenyl-5-propylpyrazine have?

2-Phenyl-5-propylpyrazine has 2 hydrogen bond acceptor counts.

What is the exact mass of 2-Phenyl-5-propylpyrazine?

The exact mass of 2-Phenyl-5-propylpyrazine is 198.115698455 g/mol.

What is the topological polar surface area of 2-Phenyl-5-propylpyrazine?

The topological polar surface area of 2-Phenyl-5-propylpyrazine is 25.8 Ų.

Is 2-Phenyl-5-propylpyrazine a canonicalized compound?

Yes, 2-Phenyl-5-propylpyrazine is a canonicalized compound.

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