AG003JYF

82925-02-8 | 4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]aniline

AG003JYF

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CAS Number	82925-02-8
Catalog Number	AG003JYF(AGN-PC-0MXR9L)
Chemical Name	4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]aniline
IUPAC Name	4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
InChI	InChI=1S/C19H24N2O2/c1-22-18-11-15-8-10-21(13-16(15)12-19(18)23-2)9-7-14-3-5-17(20)6-4-14/h3-6,11-12H,7-10,13,20H2,1-2H3
InChI Key	DGOOLMGPMIHRFY-UHFFFAOYSA-N
MDL Number	MFCD04974539
Molecular Formula	C19H24N2O2
Molecular Weight	312.4061
SMILES	NC1=CC=C(CCN2CC3=C(C=C(OC)C(OC)=C3)CC2)C=C1
Synonyms	82925-02-8, 4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)aniline, 4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]aniline, 4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-benzenamine, MFCD04974539, Benzenamine,4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-, 4-(2-(6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHYL)BENZENAMINE), 4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]aniline, DGOOLMGPMIHRFY-UHFFFAOYSA-N, SCHEMBL2771882, CTK5F0214, DTXSID60434665, ZINC2541718, 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline, AKOS000814157, MCULE-9096581229, TRA0016194, AC-13016, AJ-39215, AS-40405, AX8093163, DB-006604, TC-061656, TL8005470, 4CH-023203, CS-0006980, FT-0081065, FT-0650587, ST24042823, A840474, F9995-0459, 4-(2-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-yl)-ethyl)-benzenamine, 4-[2-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl)ethyl]benzenamine, 4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl)ethyl]benzenamine, RW1350, CID10041227, 4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, [4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]amine, 4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]aniline, Benzenamine, 4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.184g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.413g/mol
Monoisotopic Mass	312.184g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	47.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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