AG003LLS

19678-58-1 | 4-Isopropylpiperidine

AG003LLS

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CAS Number	19678-58-1
Catalog Number	AG003LLS(AGN-PC-0JMRFE)
Chemical Name	4-Isopropylpiperidine
IUPAC Name	4-propan-2-ylpiperidine
InChI	InChI=1S/C8H17N/c1-7(2)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChI Key	YBPWIUSXQXYTSR-UHFFFAOYSA-N
MDL Number	MFCD09055342
Molecular Formula	C8H17N
Molecular Weight	127.2273
SMILES	CC(C1CCNCC1)C
Synonyms	4-Isopropylpiperidine, 19678-58-1, Piperidine, 4-(1-methylethyl)-, 4-isopropyl-piperidine, 4-(propan-2-yl)piperidine, YBPWIUSXQXYTSR-UHFFFAOYSA-N, 4-(1-methylethyl)piperidine, 4-propan-2-ylpiperidine, 4-Isopropylpiperidine x1hcl, AC1L3H8O, ACMC-1C98O, SCHEMBL104851, CTK0H8554, DTXSID20173346, 4-Isopropylpiperidine, AldrichCPR, KS-000016JL, ZINC5359912, 0139AB, ANW-23728, MFCD09055342, AKOS012457792, MCULE-6057674641, AJ-53918, ST2405847, TC-112473, I0733, Y-5163, I02-0653, F1905-0642, I14-101111, 4-Isopropylpyridine, C8H17N, CID140569, 696-30-0,

Complexity	72.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.136g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.231g/mol
Monoisotopic Mass	127.136g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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