AG00IMNU

955400-16-5 | (S)-tert-Butyl 3-(methoxymethyl)piperazine-1-carboxylate

AG00IMNU

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CAS Number	955400-16-5
Catalog Number	AG00IMNU(AGN-PC-0WA32G)
Chemical Name	(S)-tert-Butyl 3-(methoxymethyl)piperazine-1-carboxylate
IUPAC Name	tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate
InChI	InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChI Key	QBJWNCXOPXVECA-VIFPVBQESA-N
MDL Number	MFCD15072107
Molecular Formula	C11H22N2O3
Molecular Weight	230.3040
SMILES	O=C(N1C[C@@H](COC)NCC1)OC(C)(C)C
Synonyms	955400-16-5, (S)-TERT-BUTYL 3-(METHOXYMETHYL)PIPERAZINE-1-CARBOXYLATE, (S)-1-Boc-3-(MethoxyMethyl)piperazine, tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate, SCHEMBL2080334, tert-butyl (S)-3-(methoxymethyl)piperazine-1-carboxylate, BH113, ZINC95627112, AKOS027324605, SB12567, (S)-4-Boc-2-(methoxymethyl)piperazine, AB0204118, (S)-tert-Butyl 2-(methoxymethyl)piperazine-1-carboxylate,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	230.163g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.308g/mol
Monoisotopic Mass	230.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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