AG018SE0

Name: 2-methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
Brand: Angene Chemical
SKU: AG018SE0

949835-62-5 | 2-methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline

AG018SE0

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CAS Number	949835-62-5
Catalog Number	AG018SE0(AGN-PC-0WBQDI)
Chemical Name	2-methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
IUPAC Name	2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
InChI	InChI=1S/C14H18N4/c1-10-6-7-11(9-12(10)15)14-17-16-13-5-3-2-4-8-18(13)14/h6-7,9H,2-5,8,15H2,1H3
InChI Key	VYMNFXLUICXQFP-UHFFFAOYSA-N
MDL Number	MFCD09802151
Molecular Formula	C14H18N4
Molecular Weight	242.3195
SMILES	CC1=C(N)C=C(C2N3C(CCCCC3)=NN=2)C=C1
Synonyms	2-methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline, 949835-62-5, 2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline, AC1Q2FJN, CTK7D5668, ZINC15554273, AKOS009149225, MCULE-4385943742, NE32300, UPCMLD0ENAT5970956:001, EN300-29486, F8889-9218,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.153g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.326g/mol
Monoisotopic Mass	242.153g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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