AG00BFGQ

222530-39-4 | CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (1R,3S)-

AG00BFGQ

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CAS Number	222530-39-4
Catalog Number	AG00BFGQ(AGN-PC-0QYV7W)
Chemical Name	CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (1R,3S)-
IUPAC Name	(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
InChI	InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChI Key	JSGHMGKJNZTKGF-BDAKNGLRSA-N
MDL Number	MFCD04973107
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C1)C(O)=O
Synonyms	222530-33-8, 222530-39-4, (1R,3S)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, (1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, (1R,3S)-3-Boc-Amino-cyclohexanecarboxylic acid, (1R,3S)-rel-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid, (1R,3S)-3-(Boc-amino)cyclohexanecarboxylic Acid, MFCD01862295, CIS-(+/-)-3-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID, cis-3-(Boc-amino)cyclohexanecarboxylic acid, Boc-cis-3-aminocyclohexanecarboxylic acid, (1R,3S)-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid, A1-00047, cis-3-tert-Butoxycarbonylaminocyclohexanecarboxylic acid, (1R,3S)-3-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid, cis-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid, BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID, AK110275, PubChem18328, cis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, SCHEMBL554988, BOC-1,3-CIS-ACHC-OH, CTK0J9713, JSGHMGKJNZTKGF-BDAKNGLRSA-N, cis-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, ZINC6363879, 1264AB, ANW-24793, MFCD04973107, AKOS015904352, CB-2610, DS-4601, OR52690, PB24737, SB10645, KS-000003Z8, KS-000008O7, AJ-56111, AK-38060, SC-28561, SC-67900, AX8117486, AX8208709, ST2402115, TX-015574, B3538, CS-0039984, FT-0679714, V4471, Z5842, B-7977, (1R,3S)-3-(tert-butoxycarbonylamino)cyclohexanecar, I14-16914, CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOX, cis-3-((tert-Butoxycarbonyl);amino);cyclohexanecarboxylic acid, cis-3-(Boc-amino)cyclohexanecarboxylic acid, >=98.0% (TLC), CIS-3-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXANECARBOXYLIC ACID, (1R*,3S*)-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid, 3beta-(tert-Butoxycarbonylamino)cyclohexane-1beta-carboxylic acid, (1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylic acid, (1R,3S);-3-((tert-Butoxycarbonyl);amino);cyclohexanecarboxylic acid, rel-(1R,3S)-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid, Boc-1,3-cis-ACHC-OH, (R,S)-cis-1-(t-Butyloxycarbonyl-amino)-cyclohexyl-3-carboxylic acid, Cyclohexanecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,3S)-, C12H21NO4, ACN-037169, CB10255, (1R,3S)-3-Boc-Amino-cyclohexanecarboxylicacid, 222530-34-9, (1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, 334932-13-7, (1S,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number