AG001C84

14028-68-3 | 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester

AG001C84

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CAS Number	14028-68-3
Catalog Number	AG001C84(AGN-PC-0N97A1)
Chemical Name	1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester
IUPAC Name	ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
InChI	InChI=1S/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3
InChI Key	RLUWHGCQILMZMC-UHFFFAOYSA-N
MDL Number	MFCD00185560
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(OCC)CC1NCCC2=C1C=C(OC)C(OC)=C2
Synonyms	14028-68-3, Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, 1-Carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, AK-29838, Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, PubChem21068, 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, Oprea1_249540, SCHEMBL3382275, CTK8B5092, KS-00000PAF, DTXSID60456322, HT745, ACT01909, 1-Isoquinolineaceticacid,1,2,3,4-tetrahydro-6,7-dimethoxy-,ethylester, ANW-47521, MFCD00185560, AKOS015843398, BR-29838, DS-11266, SC-50990, AB0022247, AX8219658, ST2412905, TC-062582, A3026, CS-0061619, FT-0649355, W3061, S-4965, 1-Carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahyd, I14-16633, ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate, 1-Ethoxycarbonylmethyl-6,7-dimethoxyl-1,2,3,4-tetrahydroisoquinoline, 1-Isoquinolineacetic acid,1,2,3,4-tetrahydro-6,7-dimethoxy-,ethyl ester, Ethyl [(1S)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate, (6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid ethyl ester, 14028-68-3 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, C15H21NO4, RLUWHGCQILMZMC-UHFFFAOYSA-N, ACN-040178, CID11129652, Ethyl2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, 17447-45-9,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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