AG00HTU5

135-97-7 | 8-​Azabicyclo[3.2.1]​octan-​3-​ol, 8-​methyl-​, (3-​exo)​-

AG00HTU5

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CAS Number	135-97-7
Catalog Number	AG00HTU5(AGN-PC-0PKRYA)
Chemical Name	8-​Azabicyclo[3.2.1]​octan-​3-​ol, 8-​methyl-​, (3-​exo)​-
IUPAC Name	(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
InChI	InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChI Key	CYHOMWAPJJPNMW-DHBOJHSNSA-N
MDL Number	MFCD00078060
Molecular Formula	C8H15NO
Molecular Weight	141.2108
SMILES	CN1[C@H]2C[C@H](C[C@@H]1CC2)O
Synonyms	pseudotropine, tropine, tropine hydrobromide, (endo)-isomer, tropine hydrochloride, (endo)-isomer, tropine hydrochloride, (exo)-isomer, tropine, (exo)-isomer, Tropine, Pseudotropanol, Pseudotropine, 135-97-7, psi-Tropine, 3-Pseudotropanol, 3beta-Tropanol, 120-29-6, 3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, 3-beta-Tropanol, Tropanol, 3-Tropanol, tropan-3beta-ol, UNII-L9Q7Z9D09L, exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, 1alphaH,5alphaH-Tropan-3beta-ol, UNII-7YXR19M72Y, 7YXR19M72Y, L9Q7Z9D09L, CHEBI:15742, 3-alpha-Tropanol, CYHOMWAPJJPNMW-RNLVFQAGSA-N, CAS-120-29-6, endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol, 5-21-01-00219 (Beilstein Handbook Reference), Tropin, (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, (5S,1R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, EINECS 205-226-5, NSC 43871, BRN 0080189, Pseudotropin, Pseudotropinol, 1alphaH,5alphaH-Tropan-3alpha-ol, EINECS 204-384-2, b-Tropine, Rel-Tropine, tropane-3beta-ol, BRN 0080188, Tropan-3a-ol, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 1alphaH,5alphaH-Tropan-3alpha-ol (8CI), 8-Methyl-8-azabicyclo[3.2.1]-3-octanol, AI3-52686, tropan-3.beta.-ol, tropan-3.alpha.-ol, PubChem12468, ENDO-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-OL, DSSTox_CID_29358, DSSTox_RID_83474, DSSTox_GSID_49399, SCHEMBL64824, SCHEMBL100196, SCHEMBL745726, CHEMBL1235490, CHEMBL1356617, DTXSID2049399, CHEBI:15884, 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-exo)-, CYHOMWAPJJPNMW-DHBOJHSNSA-N, CYHOMWAPJJPNMW-JIGDXULJSA-N, Tropine, >=97.0% (NT), ZINC158421, ACT03216, STR03114, Tox21_202725, A1P834, MFCD00078060, SBB006506, AKOS005137976, AKOS006273567, AKOS024282706, ZINC100007346, ZINC100019971, DB04026, EBD2197957, PS-4234, KS-00000M03, NCGC00016370-01, NCGC00260273-01, 1alphaH,5alphaH-Tropan-3beta-ol (8CI), AJ-15179, AK-94001, AS-15140, DS-17896, O228, SC-13932, ST057655, AB0016342, ST2410672, TL8000018, C1505, CS-0078616, FT-0082634, FT-0675703, ST24030414, A-8169, Z-3911, 30501-EP2280010A2, 30501-EP2311835A1, 120M296, (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, (1S,5R)-8-Methyl-8-azabicyclo[3.2.1]octane-3-ol, (1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, Tropine, European Pharmacopoeia (EP) Reference Standard, 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, exo- (9CI), 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, endo- (9CI), rel-(1R,3s,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ol (Tropine), 3alpha-Tropanol, a-Tropine, tropan-3alpha-ol, C8H15NO, 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, C8-H15-N-O, 2,3-Dihydro-3alpha-hydroxytropidine, CID449293, MFCD00005551, NSC 43870, 1-alpha H,5-alpha H-tropan-3beta-ol, CS-M-43041, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 8-Azabicyclo(3.2.1)octanol, 8-methyl-, 8-methyl-8-aza-bicyclo[3,2,1]octan-3-ol, T0534, 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, exo-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, (3-endo)-, 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-endo)-, PTO, 7432-10-2,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	141.115g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.214g/mol
Monoisotopic Mass	141.115g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number