AG002R04

2591-86-8 | 1-Piperidinecarboxaldehyde

AG002R04

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CAS Number	2591-86-8
Catalog Number	AG002R04(AGN-PC-0JKDGL)
Chemical Name	1-Piperidinecarboxaldehyde
EC Number	219-986-0
IUPAC Name	piperidine-1-carbaldehyde
InChI	InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChI Key	FEWLNYSYJNLUOO-UHFFFAOYSA-N
MDL Number	MFCD00006483
Molecular Formula	C6H11NO
Molecular Weight	113.1576
SMILES	O=CN1CCCCC1
UNII	ZIQ29H6CZG
Synonyms	N-formylpiperidine, N-Formylpiperidine, 2591-86-8, piperidine-1-carbaldehyde, 1-Formylpiperidine, 1-Piperidinecarboxaldehyde, Formylpiperidine, N-Formylpiperidin, Piperidinoformamide, Piperidine-N-carbaldehyde, PIPERIDINE, 1-FORMYL-, 1-Piperidinecarbaldehyde, UNII-ZIQ29H6CZG, Piperidine-1-carboxaldehyde, N-Formylpiperidin [German], N-Formyl piperdine, 1-formyl-piperidine, NSC 1066, N-Piperidinecarboxaldehyde, EINECS 219-986-0, MFCD00006483, ZIQ29H6CZG, NSC 404158, AI3-15238, FEWLNYSYJNLUOO-UHFFFAOYSA-N, WLN: T6NTJ AVH, N-Formylpiperidine, 99%, N-Formylpiperidin (german), FPI, 1-Formyl piperidine, n-formylpiperdine, Formyl piperidine, N- formylpiperidine, N-formyl piperidine, N-formyl-piperidine, piperidinecarbaldehyde, PubChem7728, piperidinecarboxaldehyde, ACMC-1CRNC, AC1Q6QPS, N-Carbaldehyde piperidine, 1-Formylpiperidine, 99%, 1-Piperidinecarbaldehyde #, AC1L29ZE, SCHEMBL2638, DSSTox_CID_23941, DSSTox_RID_80092, DSSTox_GSID_43941, KSC202I5D, ARONIS24090, CHEMBL1232817, DTXSID8043941, CTK1A2451, NSC1066, ZINC388699, BCP20086, KS-00000AZ5, NSC-1066, Tox21_302107, ANW-25842, NSC404158, SBB004316, AKOS000297086, CS-W016610, DB04113, LS20491, NE10446, NSC-404158, RP00587, RTR-011755, TRA0039419, NCGC00255934-01, AJ-20742, PS-11953, SC-02942, U776, ZB011664, CAS-2591-86-8, DB-004071, LS-115554, ST2419795, TL8002086, TR-011755, BB 0256599, F0234, FT-0634383, 42363-EP2308882A1, 42363-EP2311808A1, 42363-EP2311829A1, A833967, I12-0076, W-107211, I14-23430, F1984-0370, Z1939437383, InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H, Formylpiperidine, 1-, C6H11NO, C6-H11-N-O, CID17429, 1-Formylpiperidine, 99% - 1L 1l, (3s)-Piperidin-3-Yl(Piperidin-1-Yl)methanone, NFP, 46H, 627-42-9,

Complexity	76.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	113.16g/mol
Monoisotopic Mass	113.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H311-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P312
UN Code	UN 2810

Certificate of Analysis

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