AG0078VU

113451-59-5 | (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane

AG0078VU

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CAS Number	113451-59-5
Catalog Number	AG0078VU(AGN-PC-0P4W4S)
Chemical Name	(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
IUPAC Name	tert-butyl (1S,4S)-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/t7-,8-/m0/s1
InChI Key	UXAWXZDXVOYLII-YUMQZZPRSA-N
MDL Number	MFCD01569250
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	C(=O)(OC(C)(C)C)N1C[C@H]2NC[C@@H]1C2
Synonyms	113451-59-5, (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-N-(tert-Butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane, MFCD01569250, tert-Butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylate, tert-Butyl (1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-N-Boc-2,5-diazabicyclo[2.2.1]heptane, n-(tert-butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, 95%, (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-N-Boc-2,5-diaza-bicyclo[2.2.1]heptane, tert-butyl (1s,4s)-(-)-2,5-diazabicyclo(2.2.1)heptane-2-carboxylate, PubChem11461, AC1Q1MVD, SCHEMBL71827, KSC497G3T, CTK3J7339, DTXSID90467966, UXAWXZDXVOYLII-YUMQZZPRSA-N, ZINC403198, EBD14166, ANW-52451, QC-690, AKOS005259628, CB-3170, CS-W004668, LS30037, NE62797, RP25618, RTC-065371, SB20345, AC-24292, AJ-21979, BP-13323, BR-32190, DS-11962, EN002787, SC-20903, AB0034837, DB-016266, ST1060338, TC-065371, AM20080081, X9058, (1S,4S)-2-Boc-2,5diazabicyclo[2.2.1]heptane, 451B595, W-200853, (1S,4S)-N-(tert-Butoxycarbonyl)-2,5-diazabicyclo[2, Z1255356641, (1S,4S)-2-BOC-2,5-DIAZABICYCLO(2,2,1)HEPTANE, (1S,4S)-(-)-2-BOC-2,5-DIAZABICYLCLO[2.2.1HEPTANE, t-butyl (S,S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, t-butyl(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, t-butyl(S,S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-N-(tert-butoxycarbonyl)-2,5-diazabicyclo [2.2.1]heptane, (1S,4S)-tert-butyl 2,5-diazabicyclo[2,2,1]heptane-2-carboxylate, (1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]-heptane-2-carboxylate, (1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptan-2-carboxylate, (1S,4S)-tert-butyl-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate, (s,s) tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate, t-butyl(1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-Butyl (1S,4S)-2,5-diazabicyclo [2.2.1]heptane-2-carboxylate, tert-butyl (1S,4S)-3,6-diazabicyclo[2.2.1]heptane-3-carboxylate, tert-Butyl(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-butyl-(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-butyl-(S,S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid t-butyl ester, (1S,4S)-N-(tert-butoxycarb- onyl)-2,5-diazabicyclo[2.2.1]heptane, (S,S) 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, (S,S)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, 1,1-dimethylethyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 1,1-dimethylethyl(1s,4s)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, t-butyl (1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, t-butyl-(1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-butyl (1S,4S)-(-)-2,5-diazabicyclo-(2.2.1)heptane-2-carboxylate, tert-butyl(1S,4S)-(-)-2,5-diazabicyclo-[2.2.1]heptane-2-carboxylate, tert-butyl(1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-butyl-(1S,4S)-(+)-2,5-diazabicyclo-[2.2.1]-heptane-2-carboxylate, tert-butyl-(1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, tert-butyl-(1S,4S)-2,5-diazabicyclo-[2.2.1]-heptane-2-carboxylate, (1s, 4s)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-(-)-2,5-diazabicyclo[2.2.1] heptan-5-ylcarboxylic acid tert-butyl ester, (1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptan-5-ylcarboxylic acid tert-butyl ester, (1S,4S)-2,5-diaza-bicyclo[2.2.1 ]heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-2,5-Diaza-bicyclo[2.2.1]-heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid, tert-butyl ester, 870237-35-7, 1-2 weeks, C10H18N2O2, ACN-001212, CB10690, CID11521263, Tert-butyl 3,6-diazabicyclo[2.2.1]heptane-6-carboxylate, (1S,4S)-tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate, (1R,4R)-rel-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, 97% - 1G 1g, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, 97% 250mg, TERT-BUTYL (1R,4R)-2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE, 1217975-73-9, 134003-84-2,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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