Basic information
- CAS
1512644-89-1- Standard SMILES
NCC1CCC2(C1)OCCO2- InChIKey
WXYAYVWLCURXPF-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 1-(1,4-Dioxaspiro(4.4)nonan-7-yl)methanamine
- IUPAC
- 1,4-dioxaspiro[4.4]nonan-8-ylmethanamine
Names & synonyms
1512644-89-11-{1,4-DIOXASPIRO[4.4]NONAN-7-YL}METHANAMINE1-(1,4-Dioxaspiro(4.4)nonan-7-yl)methanamineRefChem:419442866-323-11,4-dioxaspiro[4.4]nonan-7-ylmethanamine{1,4-dioxaspiro[4.4]nonan-7-yl}methanamine(1,4-dioxaspiro[4.4]nonan-7-yl)methanamine1,4-dioxaspiro[4.4]nonan-8-ylmethanaminestarbld0044407C-(1,4-Dioxa-spiro[4.4]non-7-yl)-methylamineSCHEMBL3541972
Show more names
MKC64489MFCD30002527AKOS022905806DB-2158307-(Aminomethyl)-1,4-dioxa-spiro[4.4]nonaneD87982EN300-17197961-{1,4-DIOXASPIRO[4.4]NONAN-7-YLMETHANAMINE
Database identifiers
- CAS
1512644-89-1- PubChem CID
- 68683040
- EC Number
- 866-323-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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