AG00EE1J

57699-91-9 | Pyrazolidine, N1-BOC protected

AG00EE1J

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CAS Number	57699-91-9
Catalog Number	AG00EE1J(AGN-PC-03GQZO)
Chemical Name	Pyrazolidine, N1-BOC protected
IUPAC Name	tert-butyl pyrazolidine-1-carboxylate
InChI	InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h9H,4-6H2,1-3H3
InChI Key	MYFMFEXSUJUPEC-UHFFFAOYSA-N
MDL Number	MFCD09817426
Molecular Formula	C8H16N2O2
Molecular Weight	172.2248
SMILES	O=C(N1NCCC1)OC(C)(C)C
Synonyms	tert-butyl pyrazolidine-1-carboxylate, 57699-91-9, 1-Boc-Pyrazolidine, Tert-butyl 1-pyrazolidinecarboxylate, Pyrazolidine, N1-BOC protected, 1-Pyrazolidinecarboxylic acid, 1,1-dimethylethyl ester, Tert-butyl pound inverted question mark1-pyrazolidinecarboxylate, N-boc-pyrazolidine, pyrazolidinecarboxylate, PubChem23927, SCHEMBL2125387, tert-butyl pyrazolidinecarboxylate, DTXSID80618900, MYFMFEXSUJUPEC-UHFFFAOYSA-N, 2-tert.butyloxycarbonyl-pyrazolidine, 8520AB, ANW-75222, MFCD09817426, N-tert.-butyloxycarbonyl-pyrazolidine, SBB088675, ZINC12336448, AKOS005071821, BB-0207, RP10568, AJ-60889, TR-020123, AM20100416, CS-0035756, FT-0680833, A21704, L-1997, pyrazolidine-1-carboxylic acid tert-butyl ester, Pyrazolidine-1-carboxylic acid tert.-butyl ester, tert-Butyl 1-pyrazolidinecarboxylate, AldrichCPR, J-524816, 1-pyrazolidinecarboxylic acid 1,1-dimethylethyl ester, I14-30174, Pyrazolidine,N1-BOCprotected, C8H16N2O2, ACN-039599,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.121g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.228g/mol
Monoisotopic Mass	172.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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