AG0029JY

204514-23-8 | 1-(((Tert-Butoxycarbonyl)Amino)Methyl)Cyclohexanecarboxylic Acid

AG0029JY

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CAS Number	204514-23-8
Catalog Number	AG0029JY(AGN-PC-0QUJO0)
Chemical Name	1-(((Tert-Butoxycarbonyl)Amino)Methyl)Cyclohexanecarboxylic Acid
IUPAC Name	1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
InChI	InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-13(10(15)16)7-5-4-6-8-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChI Key	GMSHYZKSGLWHSC-UHFFFAOYSA-N
MDL Number	MFCD00027417
Molecular Formula	C13H23NO4
Molecular Weight	257.3260
SMILES	O=C(C1(CNC(OC(C)(C)C)=O)CCCCC1)O
Synonyms	204514-23-8, Boc-1-aminomethyl-cyclohexane carboxylic acid, 1-Bocaminomethyl-cyclohexanecarboxylic acid, 1-((N-Boc-amino)methyl)cyclohexanecarboxylic acid, 1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid, 1-{[(tert-butoxycarbonyl)amino]methyl}cyclohexane-1-carboxylic acid, Cyclohexanecarboxylicacid, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, SCHEMBL6803134, CTK0J9939, DTXSID50589239, ZX-AT012852, MFCD09264198, OR2665, ZINC14632718, AKOS015996829, ACM204514238, BBV-45538622, RT-011674, FT-0760257, X3612, K-5969, 1-(Aminomethyl)cyclohexanecarboxylic acid,N-boc protected, 1-(Aminomethyl)cyclohexanecarboxylic acid, N-BOC protected, 1-[[(tert-Butyloxycarbonyl)amino]methyl]cyclohexanecarboxylic acid, 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, C13H23NO4, Boc-1-aminomethyl-cyclohexanecarboxylicacid, 1-Bocaminomethyl-cyclohexanecarboxylic acid, 98% - 1G 1g, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]Cyclohexanecarboxylic acid,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.33g/mol
Monoisotopic Mass	257.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

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