AG004TCY

866783-13-3 | (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl

AG004TCY

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CAS Number	866783-13-3
Catalog Number	AG004TCY(AGN-PC-0V7U5P)
Chemical Name	(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl
EC Number	617-905-7
IUPAC Name	1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride
InChI	InChI=1S/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1
InChI Key	SWSAIQSQSDOONK-SBSPUUFOSA-N
MDL Number	MFCD13194843
Molecular Formula	C12H18ClNO2
Molecular Weight	243.7298
SMILES	CNC[C@@H]1C2=CC(OC)=C(OC)C=C2C1.[H]Cl
Synonyms	866783-13-3, (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride, (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride, J-500399, (S)-1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine hydrochloride, Ivabradine Impurity 17, SCHEMBL385259, CTK8B4485, DTXSID20583027, BCP10455, ANW-45256, AKOS015907626, AC-5503, ACN-028879, CD-1797, RP28619, AK-44950, AN-10922, SC-20825, AB1008543, AX8043786, DB-017904, ST2414096, TC-134001, FT-0659705, X0048, A20090, 783D133, I14-2897, (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyc, (1s)-4,5-dimethoxy-1-(methylaminoethyl)benzocyclobutane hcl, (1s)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane hcl, (1S)-4,5-Dimethoxy-1-(Methylaminomethyl)-BenzocyclobutaneHcl, (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl, (s)-(4,5-dimethoxy-1,2-dihydrocyclobutabenzen-1-yl)methanamine, (s)-n-[(4,5-dimethoxybenzocyclobut-1-yl)methyl ]-n-methylamine h, (S)-N-[(4,5-DIMETHOXYBENZOCYCLOBUT-1-YL)METHYL ]-N-METHYLAMINE HYDROCHLORIDE, 3,4-dimethoxy-n-methyl-bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride, bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine, 3,4-dimethoxy-n-methyl-, hydrochloride, 1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methyl-methanamine hydrochloride, 1-[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N-methylmethanamine--hydrogen chloride (1/1), null, C12H18ClNO2, SWSAIQSQSDOONK-SBSPUUFOSA-N, CS-O-32291, (S)-N-[?4,5-dimethoxybenzocyclobut-1-yl?methyl ]-N-methylamine hydrochloride,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	243.103g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.731g/mol
Monoisotopic Mass	243.103g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	30.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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