AG003BF6

256411-39-9 | 1-Boc-4-(Cyanomethyl)piperidine

AG003BF6

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CAS Number	256411-39-9
Catalog Number	AG003BF6(AGN-PC-007P6H)
Chemical Name	1-Boc-4-(Cyanomethyl)piperidine
IUPAC Name	tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate
InChI	InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3
InChI Key	LARQASBBVGBMDA-UHFFFAOYSA-N
MDL Number	MFCD09801019
Molecular Formula	C12H20N2O2
Molecular Weight	224.2994
SMILES	N#CCC1CCN(C(OC(C)(C)C)=O)CC1
Synonyms	256411-39-9, 1-Boc-4-(cyanomethyl)piperidine, Tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate, (1-BOC-PIPERIDIN-4-YL)ACETONITRILE, 1-BOC-4-CYANOMETHYLPIPERIDINE, 4-Cyanomethyl-piperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester, PubChem18864, ACMC-209gle, AC1Q1MZD, tert-butyl4-(cyanomethyl)piperidine-1-carboxylate, KSC556C7J, SCHEMBL123942, CTK4F6174, DTXSID30623842, LARQASBBVGBMDA-UHFFFAOYSA-N, 1-N-Boc-4-(cyanomethyl)piperidine, ACT09412, EBD18558, ANW-25776, HT1168, MFCD09801019, SBB066878, ZINC15021673, AKOS015841240, CB-2781, CS-W003646, HF-0217, MCULE-2790052027, RP12972, RTX-011532, SB22005, tertbutylcyanomethylpiperidinecarboxylate, TRA0060913, AC-27444, AJ-67049, AK-37660, AN-29326, BR-37660, CJ-15037, SC-72236, SY008022, AB0005941, AB1001035, DB-012553, ST2415185, 4CH-014114, A5154, FT-0652625, W4894, EN300-40045, (Piperidin-4-yl)acetonitrile, N-BOC protected, S-3785, tert-butyl 4-(cyanomethyl)piperidinecarboxylate, 1-(tert-butoxycarbonyl)piperidine-4-acetonitrile, MFCD09801019 (95+%), 411B399, I12-0330, J-524654, S12-0075, 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-, 1,1, 4-cyanomethylpiperidine-1-carboxylic acid t-butyl ester, Z1259162095, 4-(cyanomethyl)piperidine-1-carboxylic acid tert-butyl ester, 256411-39-9 tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate, 1-Piperidinecarboxylicacid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester, null, 1-Boc-3-Cyanomethylpiperidine, C12H20N2O2, 1000340-32-8,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.304g/mol
Monoisotopic Mass	224.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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