AG000WSM

1272412-72-2 | 1,6-Diazaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester

AG000WSM

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CAS Number	1272412-72-2
Catalog Number	AG000WSM(AGN-PC-0WA7UB)
Chemical Name	1,6-Diazaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylate
InChI	InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-5-11-10/h11H,4-7H2,1-3H3
InChI Key	WDVOLHDNUMLNAK-UHFFFAOYSA-N
MDL Number	MFCD18782996
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	O=C(N(C1)CC21CCN2)OC(C)(C)C
Synonyms	tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylate, 1272412-72-2, SCHEMBL14902781, DTXSID40718596, ZINC71790825, AKOS015950455, RP07446, 6-N-Boc-1,6-diazaspiro[3.3]heptane, AM803129, AJ-118646, CS-0047662, FT-0686083, ST24049574, Q-4232, J-511384, 1,6-Diazaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester, 1272412-72-2 Tert-butyl 2,5-diazaspiro[3.3]heptane-2-carboxylate, WDVOLHDNUMLNAK-UHFFFAOYSA-N, R164, 3,6-Diazaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester hemioxylate, tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylate hemioxalate,

Complexity	251
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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