AG000N6D

1251017-66-9 | 3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 1,1-dimethylethyl ester

AG000N6D

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CAS Number	1251017-66-9
Catalog Number	AG000N6D(AGN-PC-08XRC7)
Chemical Name	3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
InChI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-8(6-12)11-7/h7-8,11H,4-6H2,1-3H3
InChI Key	FCRTVZBUJDHXNR-UHFFFAOYSA-N
MDL Number	MFCD17016735
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	C12CN(CC(N1)C2)C(=O)OC(C)(C)C
Synonyms	1251017-66-9, tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate, 3-BOC-3,6-DIAZA-BICYCLO[3.1.1]HEPTANE, 3-Boc-3,6-diazabicyclo[3.1.1]heptane, EN300-89739, 3,6-Diaza-bicyclo[3.1.1]heptane-3-carboxylicacidtert-butylester, 3,6-DIAZA-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER, AC1Q1MXS, SCHEMBL1979623, FCRTVZBUJDHXNR-UHFFFAOYSA-N, KS-000006KE, MFCD17016735, AKOS022973945, FCH1121807, PB13757, AK164279, AM806035, AS-40753, DA-46706, SC-43833, CS-0038543, FT-0708821, Y1777, Q-4191, 3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid t, 3-(tert-butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane, 2-Methyl-2-propanyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate, 3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 1,1-dimethylethyl ester, C10H18N2O2,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.137g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.266g/mol
Monoisotopic Mass	198.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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