AG00AE2M

Name: Aureusimine B
Brand: Angene Chemical
SKU: AG00AE2M

170713-71-0 | Aureusimine B

AG00AE2M

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	170713-71-0
Catalog Number	AG00AE2M(AGN-PC-0N3FRL)
Chemical Name	Aureusimine B
IUPAC Name	6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
InChI	InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChI Key	CZUORGWXUVRUMV-UHFFFAOYSA-N
MDL Number	MFCD00215825
Molecular Formula	C14H16N2O
Molecular Weight	228.2896
SMILES	CC(C)C1=NC=C(NC1=O)CC2=CC=CC=C2
Synonyms	6-benzyl-3-isopropyl-2(1H)-pyrazinone, aureusimine B, phevalin, Aureusimine B, 170713-71-0, 6-Benzyl-3-isopropylpyrazin-2-one, 6-Benzyl-3-isopropyl-2(1H)-pyrazinone, CHEMBL419498, 6-Benzyl-3-isopropylpyrazin-2(1H)-one, Phevalin, 6-benzyl-3-propan-2-yl-1H-pyrazin-2-one, SCHEMBL16431626, ZINC18551, ACT09872, BDBM50104646, MFCD00930483, 6-Benzyl-3-isopropyl-1H-pyrazin-2-one, J-010645, CID10376483, 3-(1-Methylethyl)-6-(phenylmethyl)-2(1H)-pyrazinone,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.295g/mol
Monoisotopic Mass	228.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited