AG007F3M

35202-55-2 | (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride

AG007F3M

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CAS Number	35202-55-2
Catalog Number	AG007F3M(AGN-PC-00AHMW)
Chemical Name	(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride
IUPAC Name	(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2;/h4-5,8H,3,6,12H2,1-2H3;1H
InChI Key	UWGJJMDXKWGAED-UHFFFAOYSA-N
MDL Number	MFCD28038688
Molecular Formula	C11H16ClNO2
Molecular Weight	229.7032
SMILES	NCC1C2=CC(OC)=C(OC)C=C2C1.[H]Cl
Synonyms	35202-55-2, (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride, AK174751, NSC154409, NSC268229, SCHEMBL7274416, KS-00000T4Z, MFCD28038688, CS-W004232, DS-8914, NSC-154409, NSC-268229, (3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine hydrochloride, Bicyclo[4.2.0]octa-1,5-triene-7-methanamine, 3,4-dimethoxy-, hydrochloride, (.+-.)-, C(N)C1Cc2cc(OC)c(OC)cc12, UWGJJMDXKWGAED-UHFFFAOYSA-N, NSC 154409, NSC 268229, (3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine, (3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methanamine,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.087g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.704g/mol
Monoisotopic Mass	229.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number