Tert-butyl 3-formyl-8-azabicyclo(3.2.1)octane-8-carboxylate

HCID 57712307
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Basic information

CAS
799283-63-9
Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C=O)C2
InChIKey
XYJAVZBRKJTDTI-UHFFFAOYSA-N
Molecular formula
C13H21NO3
Average molar mass
239.31 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-formyl-8-azabicyclo(3.2.1)octane-8-carboxylate
IUPAC
tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Names & synonyms

tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate799283-63-9Tert-butyl 3-formyl-8-azabicyclo(3.2.1)octane-8-carboxylateRefChem:893348824-749-5MFCD244694498-Boc-3-formyl-8-azabicyclo[3.2.1]octaneSCHEMBL2535821XYJAVZBRKJTDTI-UHFFFAOYSA-NSB13127SB13128SY220640
Show more names
DB-344192CS-0078556D73926EN300-341858cis-8-Boc-3-formyl-8-azabicyclo[3.2.1]octane8-Boc-8-azabicyclo[3.2.1]octane-3-carbaldehydeF603931Z1508717072

Database identifiers

CAS
799283-63-9
PubChem CID
57712307
EC Number
824-749-5

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemistry & industry

Suppliers7 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海凯乐迪亚生物医药有限公司021-18800336901 18800336901 · [email protected]
上海新作博生物医药科技有限公司021-18800336901 15821600833
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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