(1R,5S)-8-Azabicyclo[3.2.1]octane

HCID 637985
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
280-05-7
Standard SMILES
C1C[C@@H]2CC[C@H](C1)N2
InChIKey
DGGKXQQCVPAUEA-KNVOCYPGSA-N
Molecular formula
C7H13N
Average molar mass
111.18 g/mol
Monoisotopic mass
111.10479942

Names & identifiers

Preferred name
(1R,5S)-8-Azabicyclo[3.2.1]octane
IUPAC
(1R,5S)-8-azabicyclo[3.2.1]octane
English name
pseudohyoscyamine
Molecular formula
C7H13N
Molecular weight
111.19

Names & synonyms

(1R,5S)-8-Azabicyclo[3.2.1]octane(1R,5S)-8-Azabicyclo(3.2.1)octaneRefChem:393523807-835-7(1S,5R)-8-azabicyclo[3.2.1]octanedesmethyltropaneSCHEMBL2290579SCHEMBL2384909SCHEMBL3190661DGGKXQQCVPAUEA-KNVOCYPGSA-NAKOS006355655F466892
Show more names
8-Azabicyclo[3.2.1]octanenorhyoscyamine8-azabicyclo[3.2.1]octane hydrochloridenortropanepseudohyoscyaminepseudohyoscyamine USP/EP/BP

Database identifiers

CAS
280-05-7
PubChem CID
637985
EC Number
807-835-7
Nikkaji
J724.582C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2904200090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Applications

Uses8-Azabicyclo[3.2.1]octane is used as a reactant in the preparation of enantiomerically pure 8-azabicyclo[3.2.1]octane derivatives.

Suppliers18 total

上海爱孜康医药研究有限公司18721109360 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
斯派螺（武汉）药物研发有限公司[email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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