AG00ACYE

Name: 2-(4-Methylphenyl)azepane
Brand: Angene Chemical
SKU: AG00ACYE

168890-45-7 | 2-(4-Methylphenyl)azepane

AG00ACYE

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CAS Number	168890-45-7
Catalog Number	AG00ACYE(AGN-PC-0WB5K4)
Chemical Name	2-(4-Methylphenyl)azepane
IUPAC Name	2-(4-methylphenyl)azepane
InChI	InChI=1S/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChI Key	COHNBVKUGIKOPE-UHFFFAOYSA-N
MDL Number	MFCD02663755
Molecular Formula	C13H19N
Molecular Weight	189.2967
SMILES	N1CCCCCC1C1C=CC(=CC=1)C
Synonyms	2-(4-methylphenyl)azepane, 168890-45-7, 2-(p-Tolyl)azepane, 2-(4-methylphenyl)azaperhydroepine, AC1NFSHG, AC1Q2KGX, 2-P-TOLYL-AZEPANE, Oprea1_019810, SCHEMBL7672102, CTK6B8073, DTXSID10405587, ALBB-009829, 5433AD, BBL020509, MFCD02663755, SBB050099, STK501131, AKOS001476017, MCULE-6445627398, RTR-045928, AB0217347, TR-045928, 1H-azepine, hexahydro-2-(4-methylphenyl)-, ST45054885, K-5224, C13H19N, CID4688588,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.152g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.302g/mol
Monoisotopic Mass	189.152g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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