AG000LGD

1240583-48-5 | 1-Piperazinecarboxylic acid, 2-phenyl-, 1,1-dimethylethyl ester, (2S)-

AG000LGD

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CAS Number	1240583-48-5
Catalog Number	AG000LGD(AGN-PC-0WBRLZ)
Chemical Name	1-Piperazinecarboxylic acid, 2-phenyl-, 1,1-dimethylethyl ester, (2S)-
IUPAC Name	tert-butyl (2S)-2-phenylpiperazine-1-carboxylate
InChI	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-11-13(17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m1/s1
InChI Key	DVOURBIBCQYVCC-CYBMUJFWSA-N
MDL Number	MFCD08685943
Molecular Formula	C15H22N2O2
Molecular Weight	262.3474
SMILES	C1(=CC=CC=C1)[C@@H]1N(CCNC1)C(=O)OC(C)(C)C
Synonyms	1240583-48-5, (S)-1-Boc-2-phenylpiperazine, (S)-tert-Butyl 2-phenylpiperazine-1-carboxylate, S-1-Boc-2-phenylpiperazine, tert-Butyl (2S)-2-phenylpiperazine-1-carboxylate, tert-butyl (S)-2-phenylpiperazine-1-carboxylate, BH135, FC0180, MFCD08685943, ZINC54959983, AKOS022186355, DS-8468, OR451104, SC-48199, AB0050246, AJ-112486, AX8273979, CS-0060959, 1-Piperazinecarboxylic acid, 2-phenyl-, 1,1-dimethylethyl ester, (2S)-, 1-Piperazinecarboxylicacid, 2-phenyl-, 1,1-dimethylethyl ester, 886766-60-5,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	262.168g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.353g/mol
Monoisotopic Mass	262.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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