AG00380O

1041026-71-4 | tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)

AG00380O

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CAS Number	1041026-71-4
Catalog Number	AG00380O(AGN-PC-0OSVUR)
Chemical Name	tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)
IUPAC Name	tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid
InChI	InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChI Key	PYRAMVPOMDHTNX-UHFFFAOYSA-N
MDL Number	MFCD12404932
Molecular Formula	C22H38N4O8
Molecular Weight	486.5591
SMILES	C(C(=O)O)(=O)O.C1N(CC12CNC2)C(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)N2CC1(C2)CNC1
Synonyms	1041026-71-4, tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1), 2,6-DIAZASPIRO[3.3]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER HEMIOXYLATE, tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate, 2-Boc-2,6-diazaspiro[3.3]heptane hemioxalate, MFCD12404932, AK134949, tert-Butyl 2,6-diazaspiro[3,3]heptane-2-carboxylate hemioxalate, tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate, hemioxalate, W-204523, 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxalate, 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (2:1), AMSP00014, PYRAMVPOMDHTNX-UHFFFAOYSA-N, AKOS022185441, ACN-052280, CS-W003935, DS-4864, SB10615, KS-000003Y4, OR312002, SY039509, AB0159003, AX8257182, ST1070434, AM20070692, FT-0686012, MFCD12404932 (95%), C-8281, 1-Boc-2,6-diazaspiro[3.3]heptane hemioxalate, 97%, bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate) oxalate, tert-butyl 6-aza-2-azoniaspiro[3.3]heptane-6-carboxylate oxalate, tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate salt, tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate, hemioxalate salt, 2-Boc-2,6-Diazaspiro[3.3]heptaneoxalate, 2-Boc-2,6-Diazaspiro[3.3]heptane oxalate, tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate, 6-(tert-butoxycarbonyl)-6-aza-2-azoniaspiro[3.3]heptane oxalate, tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid, 1227382-01-5,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	486.269g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	486.566g/mol
Monoisotopic Mass	486.269g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	158A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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