Methyl N-ethyl-beta-alaninate
Basic information
- CAS
3440-30-0- Standard SMILES
CCNCCC(=O)OC- InChIKey
KDGSVMQRTUAIDO-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- Methyl N-ethyl-beta-alaninate
- IUPAC
- methyl 3-(ethylamino)propanoate
- English name
- methyl N-ethyl-beta-alaninate
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.18
Names & synonyms
3440-30-0Methyl N-ethyl-beta-alaninateEINECS 222-347-9DTXSID90187975RefChem:817966DTXCID50110466222-347-9methyl 3-(ethylamino)propanoateMFCD09035843Methyl3-(Ethylamino)propanoateSCHEMBL939543SCHEMBL8851321
Show more names
N-Ethyl-β-alanine methyl esterβ-Alanine, N-ethyl-, methyl ester
SCHEMBL11508065DAA44030AKOS0090749343-Ethylamino-propionic acid methyl esterAS-32003SY019881DB-370776CS-0208215
Database identifiers
- CAS
3440-30-0- PubChem CID
- 76973
- DTXSID
DTXSID90187975- EC Number
- 222-347-9
- Nikkaji
- J216.118D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Boiling point
- 27 °C · 27 °C(Press: 0.3 Torr)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- form
- Liquid
- pka
- 9.39 · 9.39±0.19(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
- HS Code
- 2922498590 · 2922498590
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H225-H314
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
UsesMethyl 3-(Ethylamino)propanoate is a useful chemical in organic synthesis.
Suppliers
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Related reactions
7 records
Compound notes
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