AG000N58

1250993-51-1 | cis-3-Boc-3，7-diazabicyclo[4.2.0]octane

AG000N58

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CAS Number	1250993-51-1
Catalog Number	AG000N58(AGN-PC-0WACRO)
Chemical Name	cis-3-Boc-3，7-diazabicyclo[4.2.0]octane
IUPAC Name	tert-butyl (1S,6R)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
InChI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-9-8(7-13)6-12-9/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key	TUIAJQPTVCSWOB-DTWKUNHWSA-N
MDL Number	MFCD17016496
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	CC(OC(N1C[C@@H]2[C@@H](NC2)CC1)=O)(C)C
Synonyms	(1S,6R)-3-Boc-3,7-diazabicyclo[4.2.0]octane, 1417789-49-1, cis-3-Boc-3,7-diazabicyclo[4.2.0]octane, 1250993-51-1, (1S,6R)-tert-Butyl 3,7-diazabicyclo[4.2.0]octane-3-carboxylate, cis-tert-Butyl 3,7-diazabicyclo[4.2.0]octane-3-carboxylate, TERT-BUTYL (1S,6R)-3,7-DIAZABICYCLO[4.2.0]OCTANE-3-CARBOXYLATE, CTK8E1483, MFCD17016496, MFCD21332889, ZINC12506753, AKOS022180183, FCH3951262, SB20147, AJ-62628, AS-32018, AB0063335, TC-306370, V3130, Z-4387, 3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 1,1-dimethylethyl ester, (1S,6R)-, C11H20N2O2, 18068-06-9,

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-P305+P351+P338
UN Code

Certificate of Analysis

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