AG003DWM

25503-90-6 | 1-Acetyl-4-piperidinecarboxylic acid

AG003DWM

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CAS Number	25503-90-6
Catalog Number	AG003DWM(AGN-PC-0JLL4F)
Chemical Name	1-Acetyl-4-piperidinecarboxylic acid
EC Number	247-049-6
IUPAC Name	1-acetylpiperidine-4-carboxylic acid
InChI	InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChI Key	WFCLWJHOKCQYOQ-UHFFFAOYSA-N
MDL Number	MFCD00023706
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	O=C(O)C1CCN(C(=O)C)CC1
Synonyms	1-Acetylpiperidine-4-carboxylic acid, 25503-90-6, 1-Acetyl-4-piperidinecarboxylic acid, 1-acetyl-4-piperidine carboxylic acid, N-Acetylisonipecotic acid, 1-acetylisonipecotic acid, 4-Piperidinecarboxylic acid, 1-acetyl-, WFCLWJHOKCQYOQ-UHFFFAOYSA-N, n-acetyl-4-piperidinecarboxylic acid, MFCD00023706, 1-acetyl-piperidine-4-carboxylic acid, Maybridge1_003128, EINECS 247-049-6, 1-Acetylpiperidine-4-carboxylic acid,, Acetylisonipecotic acid, ACMC-209gkl, AC1L3KHV, N-acetyl isonipecotic acid, 4-carboxypiperidineacetamide, AC1Q1KC1, AC1Q5K2C, KSC207C4L, SCHEMBL191353, Jsp005055, CTK1A7145, HMS550G04, ZINC58130, DTXSID80180192, acetylpiperidine-4-carboxylic acid, 1-acetylpiperidin-4-carboxylic acid, N-acetylpiperidine-4-carboxylic acid, AN-757, ANW-25747, BBL022569, CA-347, CCG-48266, SBB000171, STL170033, l-acetyl-piperidine-4-carboxylic acid, 4-Piperidinecarboxylicacid, 1-acetyl-, AKOS000264472, MCULE-5695190715, QC-1768, RTR-011640, SB17852, KS-0000067D, AC-15315, AJ-09817, BC208966, BP-10288, BR-34380, SC-62302, 1-Acetyl-4-piperidinecarboxylic acid, 99%, 1-Acetylpiperidine-4-carboxylic acid, 97%, AB0003919, DB-013970, ST2415129, TL8002071, TR-011640, 4CH-000768, A2261, CS-0011192, FT-0607294, ST50308299, 5P-083, C-4642, 503A906, AQ-358/42531503, I01-2087, Q-103010, SR-01000637821-1, F2190-0008, N-acetyl-4-piperidine, C8H13NO3, C8-H13-N-O3, AR-1C1348, CID117255, ACN-030081, CS-T-00895, 1-Acetylpiperidine-4-carboxylic acid, 98% - 100G 100g, 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid, 1-Acetyl-4-Piperidinecarboxylic Acid (see also N-Acetylisonipecotic Acid), 26165-72-0, 438243-87-9,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.196g/mol
Monoisotopic Mass	171.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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