AG00111T

132710-90-8 | 1-Piperazinecarboxylic acid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester

AG00111T

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CAS Number	132710-90-8
Catalog Number	AG00111T(AGN-PC-0PJT7M)
Chemical Name	1-Piperazinecarboxylic acid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate
InChI	InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10-15/h15H,4-10H2,1-3H3
InChI Key	LRYRQGKGCIUVON-UHFFFAOYSA-N
MDL Number	MFCD06798090
Molecular Formula	C12H24N2O3
Molecular Weight	244.3306
SMILES	O=C(N1CCN(CCCO)CC1)OC(C)(C)C
Synonyms	132710-90-8, 1-Boc-4-(3-hydroxypropyl)piperazine, TERT-BUTYL 4-(3-HYDROXYPROPYL)PIPERAZINE-1-CARBOXYLATE, 4-(2-Hydroxypropyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, MFCD06798090, 1-Piperazinecarboxylic acid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester, 1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester, ACMC-20dtb2, SCHEMBL214593, 1-[tert-Butoxycarbonyl]-4-[3-hydroxypropyl]piperazine, Jsp001982, CTK4B8066, DTXSID30584565, LRYRQGKGCIUVON-UHFFFAOYSA-N, EBD23097, 6000AA, ZINC12958217, AKOS008857305, GS-5891, KS-0000059K, AC-14216, BC207447, DB-031007, RT-018199, 1-Boc-4-(3-hydroxypropyl)piperazine, 97%, FT-0744784, A18160, 1-tert-butoxycarbonyl-4-(3-hydroxypropyl)piperazine, J-006213, t-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate, 1-(3-hydroxypropyl)-4-tert-butyloxycarbonylpiperazine, I14-35709, tert-Butyl-4-(3-hydroxypropyl)piperazine-1-carboxylate, 4-(3-Hydroxy-propyl)-piperazine-1-carboxylic Acid Tert-butyl Ester, 4-(3-hydroxypropyl)-piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid,4-(3-hydroxypropyl)-,1,1-dimethylethyl ester, C12H24N2O3, tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.179g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.335g/mol
Monoisotopic Mass	244.179g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	53A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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