AG001M0F

149771-43-7 | 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester

AG001M0F

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CAS Number	149771-43-7
Catalog Number	AG001M0F(AGN-PC-0Q3SYV)
Chemical Name	3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-15-9-10-16(20)13-19(12-15)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI Key	IOPMFGUNMBWHIS-UHFFFAOYSA-N
MDL Number	MFCD24465640
Molecular Formula	C18H26N2O2
Molecular Weight	302.4112
SMILES	O=C(N1C2CN(CC3=CC=CC=C3)CC1CC2)OC(C)(C)C
Synonyms	149771-43-7, TERT-BUTYL 3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE, 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylMethyl)-, 1,1-diMethylethyl ester, IOPMFGUNMBWHIS-UHFFFAOYSA-N, SCHEMBL3538916, CTK4C6357, KS-00000TEB, DTXSID00577767, MFCD24465640, AK200746, DS-10238, tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1] octane-8-carboxylate, 3-benzyl-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, 3-benzyl-8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]-octane,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.199g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.418g/mol
Monoisotopic Mass	302.199g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3

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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