AG0076DH

406233-26-9 | 4-(4,4-Dimethyl-piperidin-1-yl)-benzoic acid

AG0076DH

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CAS Number	406233-26-9
Catalog Number	AG0076DH(AGN-PC-00B3L0)
Chemical Name	4-(4,4-Dimethyl-piperidin-1-yl)-benzoic acid
IUPAC Name	4-(4,4-dimethylpiperidin-1-yl)benzoic acid
InChI	InChI=1S/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17)
InChI Key	MNGVOIOJCKRYCZ-UHFFFAOYSA-N
MDL Number	MFCD09031689
Molecular Formula	C14H19NO2
Molecular Weight	233.3062
SMILES	CC1(CCN(CC1)C2=CC=C(C(=O)O)C=C2)C
Synonyms	4-(4,4-DIMETHYLPIPERIDIN-1-YL)BENZOIC ACID, 406233-26-9, AK-23959, 4-(4,4-dimethyl-1-piperidyl)benzoic Acid, SCHEMBL376845, CTK1D4885, DTXSID80468205, MNGVOIOJCKRYCZ-UHFFFAOYSA-N, KS-00000HD1, ANW-51354, MFCD09031689, ZINC21993889, AKOS012235335, GS-4355, ACM406233269, AJ-79852, AN-28444, BR-23959, QC-11121, AB0024780, AX8157994, BC4445999, DB-070066, TR-016218, 4-(4,4-dimethyl-1-piperidinyl)Benzoic acid, 4CH-007882, FT-0645639, ST24028756, W6119, 4-(4,4-Dimethyl-piperidin-1-yl)-benzoic acid, Benzoicacid, 4-(4,4-dimethyl-1-piperidinyl)-, S-5339, 233D269, 4-(4,4-dimethylpiperidin-1-yl)benzoic acid, AldrichCPR, 4- -benzoicacid, C14H19NO2, CID11535980,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.311g/mol
Monoisotopic Mass	233.142g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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