AG001M0E

149771-44-8 | 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester

AG001M0E

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CAS Number	149771-44-8
Catalog Number	AG001M0E(AGN-PC-0NHM4P)
Chemical Name	3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8/h8-9,12H,4-7H2,1-3H3
InChI Key	HNINFCBLGHCFOJ-UHFFFAOYSA-N
MDL Number	MFCD17016708
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	O=C(N1C2CNCC1CC2)OC(C)(C)C
Synonyms	149771-44-8, tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate, 8-Boc-3,8-diaza-bicyclo[3.2.1]octane, 8-Boc-3,8-diazabicyclo[3.2.1]octane, C11H20N2O2, 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester, 1,1-dimethylethyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate, 3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, ACMC-1C72F, SCHEMBL178638, AMOT0116, CTK8C5049, DTXSID60577768, HNINFCBLGHCFOJ-UHFFFAOYSA-N, ACT08926, ANW-73865, MFCD17016708, AKOS005166981, AB19687, ACN-049719, CS-W019596, GS-0910, RP26692, RTX-010764, SB20132, KS-000006Y5, AK-33386, AM803244, BR-33386, QC-11205, SC-48149, AB0022413, DB-063833, 4CH-012792, BB 0260546, FT-0648402, W3272, EN300-90564, S-7503, A808957, 8-t-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane, I14-4863, J-519373, 8-tert-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane, 8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]octane, F2147-1665, 3,8-diaza-bicyclo[3,2,1]octane-8-carboxyli acid tert-butyl ester, 3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, MFCD17016700, C2339, 201162-53-0, 347195-73-7,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number