8-Azabicyclo[3.2.1]octan-3-ol

HCID 68147CAS 501-33-7

Substructure search Find similar structures

Basic information

Standard SMILES: OC1CC2CCC(C1)N2
InChIKey: YYMCYJLIYNNOMK-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: 8-Azabicyclo[3.2.1]octan-3-ol
IUPAC: 8-azabicyclo[3.2.1]octan-3-ol
English name: (1α,5α)-8-Azabicyclo[3.2.1]octane-3α-ol
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

8-Azabicyclo[3.2.1]octan-3-olDTXSID409645168-azabicyclo(3.2.1)octan-3-olRefChem:547610DTXCID601392214826-257-67432-11-3NortropinTropigeninTropigenineNorpseudotropineNor-psi-tropine

Show more names

Tropinol Impurity 3Nortropine Impurity 2exo-8-Azabicyclo[3.2.1]octan-3-ol8-Azabicyclo[3.2.1]octan-3-ol,exo-Exo-3-hydroxy-8-azabicyclo[3.2.1]octane(1α,5α)-8-Azabicyclo[3.2.1]octane-3α-ol8-Azabicyclo[3.2.1]octan-3-ol, (3-exo)-(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-ol

3-beta-NortropanolPseudonortropinePseudotropigenine501-33-7NortropenolNortropane, 3-hydroxy-1-alpha-H,5-alpha-H-Nortropan-3-beta-olNSC72850

Database identifiers

CAS: 501-33-7、538-09-0、7432-11-3
PubChem CID: 68147
DTXSID: DTXSID40964516
ChEBI: CHEBI:165181
EC Number: 826-257-6
Nikkaji: J36.172K

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Experimental & physicochemical properties

Melting Point134.5 - 135 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 134.5 · 134.5-135 °C
Boiling point: 229.6 · 229.6±15.0 °C(Predicted)
Density: 1.096 · 1.096±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Cryst.
pka: 14.89 · 14.89±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.