AG00IHM1

93428-54-7 | 3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane DiHCl

AG00IHM1

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CAS Number	93428-54-7
Catalog Number	AG00IHM1(AGN-PC-0W30X1)
Chemical Name	3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane DiHCl
IUPAC Name	3-benzyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
InChI	InChI=1S/C13H18N2.2ClH/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12;;/h1-5,12-14H,6-10H2;2*1H
InChI Key	KJUQKNNIOPKKTE-UHFFFAOYSA-N
MDL Number	MFCD14279200
Molecular Formula	C13H20Cl2N2
Molecular Weight	275.2173
SMILES	[H]Cl.[H]Cl.C1(N2)CN(CC3=CC=CC=C3)CC2CC1
Synonyms	93428-54-7, 3-benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride, 3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane dihydrochloride, 3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE 2HCL, SCHEMBL2100360, DTXSID60497952, MFCD10699147, AKOS015900905, MCULE-4467907194, AS-35700, SC-92302, AB0073676, AX8162988, DB-079566, FT-0759400, VU0490401-1, L-4753, 3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octanedihy, I14-15975, F2196-0005, 3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octanedihydrochloride, 3,8-Diazabicyclo[3.2.1]octane, 3-(phenylmethyl)-, dihydrochloride, 3-Benzyl-3,8-diazabicyclo[3.2.1]octane--hydrogen chloride (1/2),

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	275.217g/mol
Monoisotopic Mass	274.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3A^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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