Basic information
- CAS
2839144-23-7- Standard SMILES
COC(=O)C12CCC(CN)(CC1)O2.Cl- InChIKey
UFMXDOOXZIQHAI-UHFFFAOYSA-N- Molecular formula
- C9H16ClNO3
- Average molar mass
- 221.68 g/mol
- Monoisotopic mass
- 221.0818711
Names & identifiers
- Preferred name
- Methyl4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylatehydrochloride
- IUPAC
- methyl 4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
Names & synonyms
2839144-23-7methyl 4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylate hydrochloridemethyl4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylatehydrochlorideEN300-39672540methyl 4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
Database identifiers
- CAS
2839144-23-7- PubChem CID
- 165890514
- EC Number
- 176-319-5
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
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
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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