Basic information
- CAS
1468480-24-1- Standard SMILES
CCC1CCCC(N)(C(=O)O)CC1- InChIKey
WQBRLPRBNVHUGR-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- 1-Amino-4-ethylcycloheptane-1-carboxylic acid
- IUPAC
- 1-amino-4-ethylcycloheptane-1-carboxylic acid
Names & synonyms
1-amino-4-ethylcycloheptane-1-carboxylic acid1468480-24-1TIC48024AKOS0144184541-amino-4-ethylcycloheptane-1-carboxylicacidEN300-311809Z1258693303
Database identifiers
- CAS
1468480-24-1- PubChem CID
- 65085599
- EC Number
- 116-383-3
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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