AG018SE2

Name: 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
Brand: Angene Chemical
SKU: AG018SE2

743444-21-5 | 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline

AG018SE2

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CAS Number	743444-21-5
Catalog Number	AG018SE2(AGN-PC-0WBQDK)
Chemical Name	3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
IUPAC Name	3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
InChI	InChI=1S/C13H16N4/c14-11-6-4-5-10(9-11)13-16-15-12-7-2-1-3-8-17(12)13/h4-6,9H,1-3,7-8,14H2
InChI Key	WDFYWYRBKLWXFA-UHFFFAOYSA-N
MDL Number	MFCD05263116
Molecular Formula	C13H16N4
Molecular Weight	228.2929
SMILES	NC1=CC(C2N3C(CCCCC3)=NN=2)=CC=C1
Synonyms	3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline, 743444-21-5, 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline, 3-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenylamine, AC1M29OL, MLS001011019, CHEMBL1370344, CTK7D8870, DTXSID20366574, HMS2715M04, AC1Q5278, ZINC2650097, MFCD05263116, AKOS000122209, MCULE-6574575796, NE35549, SMR000352977, EN300-02530, AB00600488-02, SR-01000050435, SR-01000050435-1, F8889-9220, 3-(6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)aniline, ZINC02650097, CID2113244,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.299g/mol
Monoisotopic Mass	228.137g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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