Basic information
- CAS
872607-79-9- Standard SMILES
CCC(CC)C(N)C(=O)OC.Cl- InChIKey
KEQSTNFFXUCAEO-UHFFFAOYSA-N- Molecular formula
- C8H18ClNO2
- Average molar mass
- 195.69 g/mol
- Monoisotopic mass
- 195.1026065
Names & identifiers
- Preferred name
- Methyl 2-amino-3-ethylpentanoate hydrochloride
- IUPAC
- methyl 2-amino-3-ethylpentanoate;hydrochloride
Names & synonyms
Methyl 2-amino-3-ethylpentanoate hydrochloride872607-79-9Methyl2-amino-3-ethylpentanoatehydrochloridemethyl 2-amino-3-ethylpentanoate;hydrochlorideSCHEMBL5164160MFCD17214476AKOS037648465methyl 2-amino-3-ethyl-pentanoate;hydrochlorideEN300-7826113
Database identifiers
- CAS
872607-79-9- PubChem CID
- 85654331
- EC Number
- 186-083-5
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
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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