AG003LT9

859518-35-7 | 1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester

AG003LT9

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CAS Number	859518-35-7
Catalog Number	AG003LT9(AGN-PC-059B2W)
Chemical Name	1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-cyanopiperazine-1-carboxylate
InChI	InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3
InChI Key	CBFXRUGJRMBDFG-UHFFFAOYSA-N
MDL Number	MFCD09991479
Molecular Formula	C10H17N3O2
Molecular Weight	211.2609
SMILES	O=C(N1CC(C#N)NCC1)OC(C)(C)C
Synonyms	tert-Butyl 3-cyanopiperazine-1-carboxylate, 859518-35-7, 1-Boc-3-cyanopiperazine, 4-Boc-2-Cyanopiperazine, 1-N-Boc-3-cyanopiperazine, AK-30143, 1-PIPERAZINECARBOXYLIC ACID, 3-CYANO-, 1,1-DIMETHYLETHYL ESTER, 4-Boc-2-Cyanopiperidine, 4-N-Boc-2-cyanopiperazine, KSC916M9H, SCHEMBL1467787, CTK8B6693, KS-00000EIS, DTXSID20705363, CBFXRUGJRMBDFG-UHFFFAOYSA-N, PS-J-072, ANW-54045, KM2371, MFCD09991479, AKOS016000218, CB-2125, FCH1620221, MCULE-2191800608, RTR-026809, TRA0077599, DS-11768, SC-23926, SY018062, AB0061566, AX8040418, ST2419938, FT-0646618, EN300-93588, MFCD09991479 (95+%), 222148A, 3-cyano-piperazine-1-carboxylic acid tert-butyl ester, Z1350606458, 3-cyano-1-piperazinecarboxylic acid 1,1-dimethylethyl ester, 1-piperazinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, 4-N-Boc-2-cyanopiperidine, R-4-N-Boc-2-cyanopiperidine, S-4-N-Boc-2-cyanopiperidine, (S)-tert-Butyl 3-cyanopiperazine-1-carboxylate, (R)-tert-Butyl 3-cyanopiperazine-1-carboxylate, tert-butyl (3R)-3-cyanopiperazine-1-carboxylate, tert-Butyl (3S)-3-cyanopiperazine-1-carboxylate, 1217650-60-6, 1217791-74-6,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.132g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.265g/mol
Monoisotopic Mass	211.132g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.4A^2
Undefined Atom Stereocenter Count	1
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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