AG003ST6

91419-53-3 | 1-N-Boc-3-Cyanopiperidine

AG003ST6

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CAS Number	91419-53-3
Catalog Number	AG003ST6(AGN-PC-0KKLAO)
Chemical Name	1-N-Boc-3-Cyanopiperidine
IUPAC Name	tert-butyl 3-cyanopiperidine-1-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3
InChI Key	UEFZTXGFHKPSFS-UHFFFAOYSA-N
MDL Number	MFCD01861222
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	C(=O)(OC(C)(C)C)N1CCCC(C1)C#N
Synonyms	91419-53-3, 1-N-Boc-3-cyanopiperidine, n-boc-3-cyanopiperidine, tert-butyl 3-cyanopiperidine-1-carboxylate, 1-Boc-3-cyanopiperidine, (+/-)-1-n-boc-3-cyano-piperidine, N-Boc-3-cyano-piperidine, 1-n-boc-3-cyano-piperidine, 3-cyano-piperidine-1-carboxylic acid tert-butyl ester, 1-n-boc-piperidine-3-carbonitrile, MFCD01861222, 1-tert-Butoxycarbonyl-3-cyanopiperidine, tert-butyl-3-cyanopiperidine-1-carboxylate, 3-cyano-1-piperidinecarboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, PubChem7634, 1-boc-3-cyanopiperdine, AC1MBUD4, 1-Boc-3-Cyano-Piperidine, KSC495C3N, 8-Naphthol-1-carboxylic acid, 1-Boc-3-piperidinecarbonitrile, AC1Q1N35, SCHEMBL1970337, CTK3J5136, DTXSID10373535, UEFZTXGFHKPSFS-UHFFFAOYSA-N, BH572, ACT02053, CS-D0645, ANW-52098, CB-393, FC0427, RW1072, SBB066832, AKOS005146015, tert-butyl 3-cyanopiperidinecarboxylate, AC-2374, MCULE-9762770055, PB12772, RP04734, RTR-028731, TRA0093872, VP80020, 1-Boc-piperidine-3-carbonitrile, 95%, KS-000004Z7, AK-28003, AK-45044, AM807444, AN-14020, AS-16165, BR-28003, S913, SC-07307, SY004325, tert-Butyl 3-Cyano-1-piperidinecarboxylate, AB0000913, AB1005714, DB-011980, ST2408851, TL8005863, TR-028731, 4CH-021536, 4CH-021537, B4515, FT-0083893, FT-0601672, 1-tert-Butoxycarbonyl-3-piperidinecarbonitrile, EN300-56899, A10873, B66755, C-8849, 1-(tert-Butoxycarbonyl)-3-piperidinecarbonitrile, MFCD01861222 (95+%), 419B533, A843862, I12-0024, Q-103082, F8889-6640, Z1359429589, null, 1-N-Boc-3-(R)-cyanopiperidine, (S)-1-N-BOC-3-CYANOPIPERIDINE, C11H18N2O2, (R)-1-N-Boc-3-cyano-piperidine, ZINC02385978, ACN-031097, CID2756785, 915226-44-7, 915226-39-0, tert-butyl (3R)-3-cyanopiperidine-1-carboxylate, tert-butyl (3S)-3-cyanopiperidine-1-carboxylate, 496-15-1,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.137g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.277g/mol
Monoisotopic Mass	210.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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