AG002BUO

198989-07-0 | 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

AG002BUO

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CAS Number	198989-07-0
Catalog Number	AG002BUO(AGN-PC-00ASM2)
Chemical Name	2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
InChI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3
InChI Key	UXAWXZDXVOYLII-UHFFFAOYSA-N
MDL Number	MFCD06411671
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	C(C)(C)(C)OC(=O)N1C2CNC(C1)C2
Synonyms	198989-07-0, Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, N-Boc-2,5-diaza-bicyclo[2.2.1]heptane, 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, 2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER, 2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, (1S,4S)-N-Boc-2,5-diaza-bicyclo[2.2.1]heptane, AK110107, 2,5-diaza-bicyclo[, AC1MC3PZ, ACMC-20a16d, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, AC1Q1MY8, n-boc-2,5-diaza-bicyclo[, 2-BOC-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE, SCHEMBL242023, tert-butyl 2,5-diazabicyclo[, CTK7G2682, DTXSID60375403, UXAWXZDXVOYLII-UHFFFAOYSA-N, ANW-56154, WT1187, AKOS000280943, AKOS016344424, MCULE-6600145677, PB29381, RP07297, 2-Boc-2,5-diazabicyclo[2.2.1]heptane, AK-32190, AK-33960, AN-33357, DS-12635, SC-83003, DB-007742, TC-030137, 4CH-013223, AM20090142, BB 0261476, FT-0645242, ST50825431, Y8142, Q-2819, W-206470, (1S,4S)-2-BOC-2,5-diazabicyclo (2.2.1)heptane, 198989-07-0 pound>>113451-59-5, 2-(t-butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane, tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate, tert-butyl 2,5-diaza-bicyclo[2.2.l]heptane-2-carboxylate, tert-butyl 2,5-diazabicylo [2,2,1] heptane-2-carboxylate, tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 1,1-dimethylethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 113451-59-5 n-(tert-butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane, 113451-59-5 tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 2,5-diaza-bicyclo[2.2.1]-heptane-2-carboxylic acid tert-butyl ester, tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate pound>>113451-59-5, C10H18N2O2, (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE, MFCD01569250, CID2760898, 113451-59-5, R075, R135, (1R,4R)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 134003-84-2, Tert-butyl 3,6-diazabicyclo[2.2.1]heptane-6-carboxylate, (1S,4S)-(+)-2-Boc-2,5-diaza-bicyclo[2.2.1]heptane 1HCl salt, TERT-BUTYL (1R,4R)-2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE, tert-Butyl (1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate,

Complexity	247
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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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