AG003D2O

17191-43-4 | 1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid

AG003D2O

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CAS Number	17191-43-4
Catalog Number	AG003D2O(AGN-PC-007HOT)
Chemical Name	1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid
IUPAC Name	1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
InChI	InChI=1S/C15H19NO4/c17-13(18)15(9-5-2-6-10-15)16-14(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,19)(H,17,18)
InChI Key	UZRXLKFQBCCVJH-UHFFFAOYSA-N
MDL Number	MFCD02094521
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	O=C(C1(NC(OCC2=CC=CC=C2)=O)CCCCC1)O
Synonyms	17191-43-4, 1-(CBZ-AMINO)CYCLOHEXANECARBOXYLIC ACID, 1-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acid, 1-(BENZYLOXYCARBONYLAMINO)CYCLOHEXANE-1-CARBOXYLIC ACID, 1-{[(Benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-, 1-Benzyloxycarbonylaminocyclohexanecarboxylic acid, SCHEMBL1839379, CTK4D4086, KS-00000ADZ, DTXSID60463495, UZRXLKFQBCCVJH-UHFFFAOYSA-N, ACN-S002888, ZINC2389765, 4988AJ, MFCD02094521, 1-(Cbz-amino)cyclohexanecarboxylicAcid, AKOS000168143, TRA0006422, AJ-35614, AK-60360, CS-11025, SC-24011, SY003145, AB1001534, DB-012727, TC-306601, CS-0059144, FT-0719584, K-5289, MFCD02094521 (97+%), 1-benzyloxycarbonylaminocyclohexane-1-carboxylic acid, I14-17344, N-Benzyloxycarbonyl-1-amino-cyclohexanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid, null, C15H19NO4, CID11357886, 1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid, 1-phenylmethoxycarbonylaminocyclohexane-1-carboxylic Acid, 908847-42-7,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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