AG00C98J

330838-52-3 | 4-(AMINOMETHYL)CYCLOHEX-1-ENECARBOXYLIC ACID

AG00C98J

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CAS Number	330838-52-3
Catalog Number	AG00C98J(AGN-PC-0R8L3W)
Chemical Name	4-(AMINOMETHYL)CYCLOHEX-1-ENECARBOXYLIC ACID
IUPAC Name	4-(aminomethyl)cyclohexene-1-carboxylic acid
InChI	InChI=1S/C8H13NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6H,1-2,4-5,9H2,(H,10,11)
InChI Key	MZPZFPYJTSAQPX-UHFFFAOYSA-N
MDL Number	MFCD10001448
Molecular Formula	C8H13NO2
Molecular Weight	155.1943
SMILES	NCC1CC=C(C(O)=O)CC1
Synonyms	330838-52-3, Tranexamic acid related compound C, 4-(Aminomethyl)cyclohex-1-enecarboxylic acid, 4-(aminomethyl)cyclohex-1-ene-1-carboxylic acid, 1,2-Didehydro tranexamic acid, Tranexamic acid impurity C [EP], Tranexamic acid related compound C [USP], Tranexamic acid related compound C RS [USP], 7-AMC, (RS)-4-(Aminomethyl)cyclohex-1-enecarboxylic acid, 1-Cyclohexene-1-carboxylic acid, 4-(aminomethyl)-, FCH880337, MFCD10001448, STL450970, AKOS006305238, ACM330838523, SC-93864, FT-0661904, EN300-207462, 1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI), 4-(AMINOMETHYL)-1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid (Tranexamic acid Impurity), Coumarin 120, Coumarin 440, 4-Methyl-7-aminocoumarin, 7-Amino-4-methylcoumarin, UNII-5WP87419XG, 5WP87419XG, NSC 45796, CID9920436, (4-Methyl-2-oxo-2H-chromen-7-yl)amine, 7-amino-4-methyl-2H-1-Benzopyran-2-one, 4-(aminomethyl)cyclohexene-1-carboxylic Acid, C 120, 1-Cyclohexene-1-carboxylic acid, 4-(aminomethyl)- (9CI), 26093-31-2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	155.197g/mol
Monoisotopic Mass	155.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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