AG003AVW

1228675-18-0 | tert-Butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate

AG003AVW

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CAS Number	1228675-18-0
Catalog Number	AG003AVW(AGN-PC-0WAJVI)
Chemical Name	tert-Butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
IUPAC Name	tert-butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
InChI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-4-11-7-6-8(7)12/h7-8,11H,4-6H2,1-3H3
InChI Key	MALCQJIQWIWGOV-UHFFFAOYSA-N
MDL Number	MFCD17480504
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	C12N(CCNC2C1)C(=O)OC(C)(C)C
Synonyms	tert-butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate, 1228675-18-0, 2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid Dimethylethyl Ester, MALCQJIQWIWGOV-UHFFFAOYSA-N, AC1Q1N79, SCHEMBL13734028, MFCD17480504, AKOS024071944, CS-0018049, EN300-89740, t-Butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate, 2-(tert-Butoxycarbonyl)-2,5-diazabicyclo[4.1.0]heptane, tert-butyl (+/-)-2,5-diazabicyclo [4.1.0]heptane-2-carboxylate, tert-butyl (+/-)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate, tert-butyl 2,5-diazabicyclo[4.1.0]heptane-5-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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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