AG003A7H

57982-78-2 | 1-(tert-Butyl)-4,4-diphenylpiperidine

AG003A7H

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CAS Number	57982-78-2
Catalog Number	AG003A7H(AGN-PC-0JL8MC)
Chemical Name	1-(tert-Butyl)-4,4-diphenylpiperidine
EC Number	261-062-4
IUPAC Name	1-tert-butyl-4,4-diphenylpiperidine
InChI	InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChI Key	QIHLUZAFSSMXHQ-UHFFFAOYSA-N
MDL Number	MFCD00866585
Molecular Formula	C21H27N
Molecular Weight	293.4458
SMILES	C(C)(C)(C)N1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1
UNII	L9026OPI2Z
Synonyms	4,4-diphenyl-1-tert-butylpiperidine hydrochloride, budipine, budipine hydrochloride, Parkinsan, Budipine, 57982-78-2, 1-tert-Butyl-4,4-diphenylpiperidine, 1-(tert-Butyl)-4,4-diphenylpiperidine, Budipine [INN], Budipin, Budipin [German], 1-tert-Butyl-4,4-diphenyl-piperidine, Budipinum [INN-Latin], Budipina [INN-Spanish], UNII-L9026OPI2Z, EINECS 261-062-4, BRN 5959608, Piperidine, 1-(1,1-dimethylethyl)-4,4-diphenyl-, CHEMBL334491, L9026OPI2Z, 1-(1,1-Dimethylethyl)-4,4-diphenylpiperidine, Budipine (INN), AK142101, Budipina, Budipinum, AC1L2AFJ, AC1Q2ANX, 4,4-diphenyl-1-tert-butylpiperidine hydrochloride, SCHEMBL120041, CTK6A9571, DTXSID20206709, CHEBI:135228, KS-00000FU5, ZINC1481990, BDBM50062600, MFCD00866585, PDSP1_001614, PDSP2_001598, 1-(t-Butyl)-4,4-diphenylpiperidine, AKOS015949499, AN-2326, API0007854, CS-W001601, DS-7489, HY-W001601, RP08086, AJ-26304, AM807874, CC-25261, M128, AX8118934, LS-115105, FT-0684957, D07306, 1-(1,1-Dimethylethyl)-4,4-diphenyl-piperidine, C-23735, J-505146, Parkinsan, Not Available, Budipine hydrochloride, C21H27N, CID68778, C21-H27-N, C026710,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.214g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.454g/mol
Monoisotopic Mass	293.214g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

Lot Number