AG003SH5

216584-22-4 | N,N′,N′′-Tri-Boc-guanidine

AG003SH5

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CAS Number	216584-22-4
Catalog Number	AG003SH5(AGN-PC-0QY7I6)
Chemical Name	N,N′,N′′-Tri-Boc-guanidine
IUPAC Name	tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
InChI	InChI=1S/C16H29N3O6/c1-14(2,3)23-11(20)17-10(18-12(21)24-15(4,5)6)19-13(22)25-16(7,8)9/h1-9H3,(H2,17,18,19,20,21,22)
InChI Key	XZGNHTJSFCBWHG-UHFFFAOYSA-N
MDL Number	MFCD11656061
Molecular Formula	C16H29N3O6
Molecular Weight	359.4180
SMILES	C(=O)(OC(C)(C)C)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Synonyms	N,N',N''-Tri-Boc-guanidine, 216584-22-4, SCHEMBL3144118, N,N,N-TRI-BOC-GUANIDINE, CTK8G1355, N-,N'-,N"-Tri-Boc-guanidine, DTXSID20441916, XZGNHTJSFCBWHG-UHFFFAOYSA-N, N-,N'-,N''-Tri-Boc-Guanidine, MFCD11656061, ZINC39030584, N,N',N''-Tri-Boc-guanidine, 97%, 1,2,3-Tris(tert-butoxycarbonyl)guanidine, AS-30325, J-014212, tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate, N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Tri-Boc-guanidine, CID10570451, Tert-butyl N-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate,

Complexity	504
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	359.206g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	359.423g/mol
Monoisotopic Mass	359.206g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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