AG00HVUN

1403898-64-5 | (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate

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CAS Number	1403898-64-5
Catalog Number	AG00HVUN(AGN-PC-0WG3PM)
Chemical Name	(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
IUPAC Name	tert-butyl (2R,5R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
InChI	InChI=1S/C11H22N2O3/c1-8-5-12-9(7-14)6-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChI Key	OCHKRKFPKUAHGF-RKDXNWHRSA-N
MDL Number	MFCD28100885
Molecular Formula	C11H22N2O3
Molecular Weight	230.3040
SMILES	OC[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Synonyms	1403898-64-5, (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate, SCHEMBL13825930, OCHKRKFPKUAHGF-RKDXNWHRSA-N, MFCD28100885, ZINC206835273, AS-43319, CS-0047403, (2R,5R)-t-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate, tert-butyl (2R,5R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate, (2R,5R)-5-Hydroxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	2
Isotope Atom Count	0
Molecular Weight	230.308g/mol
Monoisotopic Mass	230.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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