AG003OYC

370881-06-4 | cis-3-Boc-3,8-diazabicyclo[4.2.0]octane

AG003OYC

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CAS Number	370881-06-4
Catalog Number	AG003OYC(AGN-PC-0WACRP)
Chemical Name	cis-3-Boc-3,8-diazabicyclo[4.2.0]octane
IUPAC Name	tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
InChI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-8-6-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChI Key	VGJOEEIXDPWTAZ-IUCAKERBSA-N
MDL Number	MFCD17016497
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	O=C(N1C[C@]2([H])NC[C@]2([H])CC1)OC(C)(C)C
Synonyms	370882-99-8, (1R,6S)-3-Boc-3,8-diazabicyclo[4.2.0]octane, (1R,6S)-TERT-BUTYL 3,8-DIAZABICYCLO[4.2.0]OCTANE-3-CARBOXYLATE, cis-3-Boc-3,8-diazabicyclo[4.2.0]octane, 370881-06-4, (1R,6S)-3,8-Diaza-bicyclo[4.2.0]octane-3-carboxylic acid tert-butyl ester, MFCD17016497, KSC941I7T, SCHEMBL927984, tert-butyl (1r,6s)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate, AMOT0122, CTK8E1479, DTXSID80582692, VGJOEEIXDPWTAZ-IUCAKERBSA-N, 4706AJ, MFCD18384927, ZINC12506739, AKOS025290122, FCH3983937, PB34935, AJ-62623, AM803794, AS-38901, OR317094, AB0063337, TC-306364, CS-0058730, Q-4424, Cis-3-N-Boc-3,8-diaza-bicyclo[4.2.0]octane, (1R,6S)-3-N-Boc-3,8-diaza-bicyclo[4.2.0]octane, (1R,6S) 3,8-diaza-bicyclo[4.2.0]octane-3-carboxylic acid tert-butyl ester, alpha-Cyclopentylmandelic acid, C11H20N2O2, (1S,6R)-3-Boc-3,8-diazabicyclo[4.2.0]octane, 427-49-6, 370881-96-2,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	212.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.293g/mol
Monoisotopic Mass	212.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number