AG0033RR

885280-38-6 | 3-N-Boc-aminocyclohexanone

AG0033RR

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CAS Number	885280-38-6
Catalog Number	AG0033RR(AGN-PC-059B1W)
Chemical Name	3-N-Boc-aminocyclohexanone
IUPAC Name	tert-butyl N-(3-oxocyclohexyl)carbamate
InChI	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChI Key	VGDCXKATFLOEHF-UHFFFAOYSA-N
MDL Number	MFCD03790905
Molecular Formula	C11H19NO3
Molecular Weight	213.2735
SMILES	O=C(OC(C)(C)C)NC1CC(=O)CCC1
Synonyms	885280-38-6, 3-N-Boc-aminocyclohexanone, tert-Butyl (3-oxocyclohexyl)carbamate, tert-butyl 3-oxocyclohexylcarbamate, (3-oxo-cyclohexyl)-carbamic acid tert-butyl ester, 3-(Boc-amino)cyclohexanone, tert-butyl N-(3-oxocyclohexyl)carbamate, MFCD03790905, (S)-tert-Butyl (3-oxocyclohexyl)carbamate, tert-butyl3-oxocyclohexylcarbamate, 1803033-61-5, tert-butyl N-[(1R)-3-oxocyclohexyl]carbamate, PubChem20066, 3-n-boc-amino cyclohexanone, SCHEMBL132145, 3-(Boc-amino)cyclohexan-1-one, AMCH00011, CTK5G0681, DTXSID70657964, VGDCXKATFLOEHF-UHFFFAOYSA-N, HT774, 1383797-87-2, tert-butyl(3-Oxocyclohexyl)carbamate, ANW-43484, FC0860, RW3635, RW3695, AKOS005146026, AC-1730, CB-2673, CS-W003115, GS-4121, QC-2031, RP26757, RTC-030778, KS-00000C55, TRA-0184339, 3-(tert-Butoxycarbonylamino)cyclohexanone, 3-aminocyclohexan-1-one, n-boc protected, AK-36725, AN-14657, BC651956, BC651958, BR-36725, SC-12002, SY022036, AB0027287, TC-030778, 4CH-000722, AM20070520, C2014, FT-0080005, FT-0602680, ST24025803, W9104, S-3516, (3-oxo-cyclohexyl)carbamic acid tert-butyl ester, MFCD03790905 (97+%), 280B386, M111089, TERT-BUTYL (S)-(3-OXOCYCLOHEXYL)CARBAMATE, J-501234, S14-0910, 885280-38-6 (3-oxocyclohexyl)carbamic acid tert-butyl ester, Carbamic acid,N-(3-oxocyclohexyl)-, 1,1-dimethylethyl ester, tert-butyl (3-oxocyclohexyl)carbamate, 1-[(tert-butoxycarbonyl)amino]-3-oxocyclohexane, C11H19NO3, -CARBAMICACIDTERT-BUTYLESTER, (3-Oxo-cyclohexyl)-carbamic acid benzyl ester, (3-Oxocyclohexyl)carbamic acid tert-butyl ester, A10578,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.136g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.277g/mol
Monoisotopic Mass	213.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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