8-Azabicyclo(3.2.1)octane

HCID 136097

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 280-05-7
Standard SMILES: C1CC2CCC(C1)N2
InChIKey: DGGKXQQCVPAUEA-UHFFFAOYSA-N
Molecular formula: C7H13N
Average molar mass: 111.18 g/mol
Monoisotopic mass: 111.10479942

Overview

structure in first source

Names & identifiers

Preferred name: 8-Azabicyclo(3.2.1)octane
IUPAC: 8-azabicyclo[3.2.1]octane
English name: pseudohyoscyamine
Molecular formula: C7H13N
Molecular weight: 111.19

Names & synonyms

8-Azabicyclo[3.2.1]octane280-05-78-Azabicyclo(3.2.1)octaneDTXSID90950681RefChem:106915DTXCID20965228Nortropane8-aza-bicyclo[3.2.1]octaneMFCD131963891.alpha.H,5.alpha.H-NortropaneNortropanSCHEMBL34529

Show more names

norhyoscyamine8-azabicyclo[3.2.1]octane hydrochloridepseudohyoscyaminepseudohyoscyamine USP/EP/BP

SCHEMBL595108-Azabicyclo[3,2,1]octaneSCHEMBL241903SCHEMBL328894SCHEMBL662816SCHEMBL664010SCHEMBL4206166SCHEMBL4514843

Database identifiers

CAS: 280-05-7
PubChem CID: 136097
DTXSID: DTXSID90950681
EC Number: 807-835-7
Nikkaji: J11.395F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 80.4

Physicochemical properties

Melting point: 307 · 307-309 °C
Boiling point: 61 °C · 61 °C(Press: 11 Torr)
Density: 0.934 · 0.934±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 10.28 · pKa 10.28(H2O,t =21±2,Iundefined) (Uncertain)
color: White
FDA UNII: 855 F02C19L · 855F02C19L
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2904200090 · 2904200090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.