AG0085FN

103733-33-1 | 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl

AG0085FN

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CAS Number	103733-33-1
Catalog Number	AG0085FN(AGN-PC-079VBD)
Chemical Name	1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
IUPAC Name	ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI	InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H
InChI Key	LRLJUGFKJBKGTR-UHFFFAOYSA-N
MDL Number	MFCD08689587
Molecular Formula	C12H16ClNO2
Molecular Weight	241.7139
SMILES	CCOC(=O)C1C2=CC=CC=C2CCN1.Cl
Synonyms	103733-33-1, ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester hydrochloride, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester HCl, 1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid ethyl ester hydrochloride, Q-102340, 1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acidethyl ester hydrochloride, LRLJUGFKJBKGTR-UHFFFAOYSA-N, SCHEMBL2790413, CTK6F7580, DTXSID90661386, ACT05902, ANW-54586, CT-937, MFCD08689587, AKOS015845443, AK-56708, AS-39143, AB0004576, AX8232338, DB-018716, TC-143331, FT-0763602, X-2524, SR-01000527364, SR-01000527364-1, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl, 1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester hydrochloride, Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate--hydrogen chloride (1/1), Ethyl1,2,3,4-tetrahydroisoquinoline-1-carboxylatehydrochloride, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylicacidethylesterhydrochloride,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.087g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.715g/mol
Monoisotopic Mass	241.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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