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5,8-Diazaspiro(2.6)nonane

HCID 71811307
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
90207-53-7
Standard SMILES
C1CNCC2(CC2)CN1
InChIKey
YTHRUQKSVTZEDY-UHFFFAOYSA-N
Molecular formula
C7H14N2
Average molar mass
126.2 g/mol
Monoisotopic mass
126.11569846

Names & identifiers

Preferred name
5,8-Diazaspiro(2.6)nonane
IUPAC
5,8-diazaspiro[2.6]nonane

Names & synonyms

5,8-Diazaspiro[2.6]nonane90207-53-75,8-Diazaspiro(2.6)nonaneRefChem:528317871-619-9SCHEMBL16878204QDA20753AT20044EN300-4330308

Database identifiers

CAS
90207-53-7
PubChem CID
71811307
EC Number
871-619-9

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
24.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
97

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)

Related reactions

2 records
New reaction record
HRID 174043 reaction equation
HRID 174043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1581212 reaction equation
HRID 1581212As reactantFig 7 data from Golden paper

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes