AG008HTT

83393-23-1 | 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride

AG008HTT

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CAS Number	83393-23-1
Catalog Number	AG008HTT(AGN-PC-00KUJF)
Chemical Name	8-Benzyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride
EC Number	617-458-8
IUPAC Name	8-benzyl-8-azabicyclo[3.2.1]octan-3-one;hydrochloride
InChI	InChI=1S/C14H17NO.ClH/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H
InChI Key	XPIPTYACPFJRQB-UHFFFAOYSA-N
MDL Number	MFCD06659471
Molecular Formula	C14H18ClNO
Molecular Weight	251.7518
SMILES	O=C1CC(N2CC3=CC=CC=C3)CCC2C1.[H]Cl
Synonyms	83393-23-1, 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride, 8-(Phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one hydrochloride, N-Benzyl nortropinone hydrochloride, N-Benzyltropinone Hcl, 8-Benzyl-8-azabicyclo[3.2.1]octan-3-onehydrochloride, SCHEMBL1633577, CTK3E6182, DTXSID00517906, N-Benzylnortropinone Hydrochloride, ANW-45812, AKOS015918195, LS41947, VZ33163, AK-87363, AN-36031, OR310941, AX8227398, DB-083128, TC-134557, FT-0657657, ST24024557, W8664, KS-00002485, A840568, I14-8251, 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one--hydrogen chloride (1/1), C14H18ClNO, ACN-S002127, CS-4347, EC 617-458-8, (1R,5S)-8-Benzyl-8-azabicyclo(3.2.1)octan-3-one hydrochloride, 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.108g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.754g/mol
Monoisotopic Mass	251.108g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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