AG000OFJ

1256815-07-2 | 1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1,4-bis(1,1-dimethylethyl) ester

AG000OFJ

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CAS Number	1256815-07-2
Catalog Number	AG000OFJ(AGN-PC-0WCXEM)
Chemical Name	1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1,4-bis(1,1-dimethylethyl) ester
IUPAC Name	ditert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate
InChI	InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-7-8-18(11(9-16)10-17)13(20)22-15(4,5)6/h11H,7-10,16H2,1-6H3
InChI Key	XJELTUFOFGNOTB-UHFFFAOYSA-N
MDL Number	MFCD24471267
Molecular Formula	C15H29N3O4
Molecular Weight	315.4085
SMILES	O=C(N1C(CN)CN(C(OC(C)(C)C)=O)CC1)OC(C)(C)C
Synonyms	1256815-07-2, 1,4-di-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate, Di-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate, Di-tert-butyl (R)-2-(aminomethyl)piperazine-1,4-dicarboxylate, Di-tert-butyl (S)-2-(aminomethyl)piperazine-1,4-dicarboxylate, SCHEMBL18342443, KS-000008NY, MFCD24471267, SB22014, AS-51943, CS-0052724, 1,4-Bis(tert-butoxycarbonyl)piperazine-2-methaneamine, ditert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate, 1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1,4-bis(1,1-dimethylethyl) ester, 1808248-63-6, 1932411-32-9,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.216g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	315.414g/mol
Monoisotopic Mass	315.216g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	85.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

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