Basic information
- CAS
2566-29-2- Standard SMILES
CCC(N)(CC)C(=O)O- InChIKey
KWOMLHIFHFWBSB-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- alpha-Amino-2-ethylbutanoic acid
- IUPAC
- 2-amino-2-ethylbutanoic acid
- English name
- 3-AMINOPENTANE-3-CARBOXYLIC ACID
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
2566-29-2alpha,alpha-diethylglycinealpha-Amino-2-ethylbutanoic acidDeg amino acidDTXSID20180358RefChem:555372DTXCID301028492-amino-2-ethylbutanoic acidH-Deg-OH3-Aminopentane-3-carboxylic acid2-amino-2-ethyl-butanoic acid2-Amino-2-ethylbutyric acid
Show more names
DIETHYLGLYCINE2-Amino-2-ethylbutyricacidDeg-OHDiethylglycine (Deg)alfaAminodiethylaceticacid2-amino-2-ethylbutanoicacialpha-Aminodiethyl acetic acid
MFCD01737173Butanoic acid, 2-amino-2-ethyl-NSC23275NIOSH/ES6646000NSC 23275NSC-23275BS-12315EN300-91958
Database identifiers
- CAS
2566-29-2- PubChem CID
- 95206
- DTXSID
DTXSID20180358- EC Number
- 818-415-8
- Nikkaji
- J80.516E
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 252.6 °C · 252.6 °C (decomp)
- Boiling point
- 162 · 162-164 °C(Press: 12 Torr)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.38 · 2.38±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- HS Code
- 2922498590 · 2922498590
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%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
Related reactions
5 records
Compound notes
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