AG003DI4

154476-57-0 | N,N'-Di-Boc-guanidine

AG003DI4

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CAS Number	154476-57-0
Catalog Number	AG003DI4(AGN-PC-0O4EKH)
Chemical Name	N,N'-Di-Boc-guanidine
IUPAC Name	tert-butyl (NE)-N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
InChI	InChI=1S/C11H21N3O4/c1-10(2,3)17-8(15)13-7(12)14-9(16)18-11(4,5)6/h1-6H3,(H3,12,13,14,15,16)
InChI Key	VPWFNCFRPQFWGS-UHFFFAOYSA-N
MDL Number	MFCD01863604
Molecular Formula	C11H21N3O4
Molecular Weight	259.3021
SMILES	N=C(NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O
Synonyms	154476-57-0, 1,3-Bis(tert-butoxycarbonyl)guanidine, 1 3-BIS(TERT-BUTOXYCARBONYL)GUANIDINE, di-Boc-guanidine, N,N'-di(tert-butoxycarbonyl)guanidine, tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanimidoyl)carbamate, 7753AA, BBL103181, STL556991, AKOS016010434, CS-W014073, DS-4540, BC201895, RT-017974, 1,3-Bis(tert-butoxycarbonyl)guanidine, 98%, J-009106, tert-butyl [N-(tert-butoxycarbonyl)carbamimidoyl]carbamate (non-preferred name), N,N'-Di-Boc-guanidine, C11H21N3O4, CID9648359, Tert-butyl N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	259.153g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	259.306g/mol
Monoisotopic Mass	259.153g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

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