Basic information
- CAS
1135219-29-2- Standard SMILES
CCOC(=O)C(N)(CC)CC.Cl- InChIKey
GQERJQAZXHCDQN-UHFFFAOYSA-N- Molecular formula
- C8H18ClNO2
- Average molar mass
- 195.69 g/mol
- Monoisotopic mass
- 195.1026065
Names & identifiers
- Preferred name
- Ethyl 2-amino-2-ethylbutanoate hydrochloride
- IUPAC
- ethyl 2-amino-2-ethylbutanoate;hydrochloride
Names & synonyms
ethyl 2-amino-2-ethylbutanoate hydrochloride1135219-29-2RefChem:594097833-375-1ethyl 2-amino-2-ethylbutanoate;hydrochlorideSCHEMBL14152453GQERJQAZXHCDQN-UHFFFAOYSA-NKVB21929NSC522555NSC-522555ethyl2-amino-2-ethylbutanoatehydrochlorideCS-0135430
Show more names
ethyl 2-amino-2-ethyl-butanoate;hydrochlorideEN300-2215692-amino-2-ethyl-butanoic acid ethyl ester hydrochlorideZ2213893375
Database identifiers
- CAS
1135219-29-2- PubChem CID
- 24201639
- EC Number
- 833-375-1
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
- 130
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
18 records
Compound notes
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