beta-Alanine, N,N-dimethyl-, ethyl ester

HCID 88372

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Basic information

CAS: 20120-21-2
Standard SMILES: CCOC(=O)CCN(C)C
InChIKey: IZMJWGJGVGRWBW-UHFFFAOYSA-N
Molecular formula: C7H15NO2
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.11027872

Names & identifiers

Preferred name: beta-Alanine, N,N-dimethyl-, ethyl ester
IUPAC: ethyl 3-(dimethylamino)propanoate
English name: 3-Diethylaminopropionic acid ethyl ester
Molecular formula: C7H15NO2
Molecular weight: 145.2

Names & synonyms

20120-21-2N,N-Dimethyl-beta-alanine ethyl esterEthyl 3-(dimethylamino)propionatebeta-Alanine, N,N-dimethyl-, ethyl esterEthyl beta-(dimethylamino)propionateEINECS 243-524-7BRN 1702477NSC 73176RefChem:567124ethyl 3-(dimethylamino)propanoateETHYL 3-DIMETHYLAMINOPROPIONATEEthyl N,N-dimethyl-beta-alaninate

Show more names

ETHYL 3-DIETHYLAMINOPROPIONATEETHYL 3-(DIETHYLAMINO)PROPANOATEETHYL BETA-DIETHYLAMINO PROPIONATEN,N-Dimethyl-β-alanine ethyl estern,n-dimethyl-beta-alaninethylester

MFCD00015166Ethyl 3-(N,N-Dimethylamino)propionateNCIOpen2_000519SCHEMBL39030553-DIMETHYLAMINOPROPIONATEDTXSID60902738IZMJWGJGVGRWBW-UHFFFAOYSA-NNSC73176

Database identifiers

CAS: 20120-21-2
PubChem CID: 88372
DTXSID: DTXSID60902738
EC Number: 243-524-7
Nikkaji: J267.188C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 102

Physicochemical properties

Boiling point: 56 · 56-57°C 12mm
Density: 0 · 0,915 g/cm3
refractive index: 1.419 · 1.4190
Flash point: 58 °C · 58°C
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.83 · 8.83±0.28(Predicted)
Specific Gravity: 0.917 · 0.917
Appearance: Colorless to light yellow Liquid
Water Solubility: Immiscible with water.
BRN: 1702477 · 1702477
Symbol(GHS): 2 · GHS02,GHS07
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Risk Statements: 36 · 36/37/38-10
Safety Statements: 26 · 26-36
RIDADR: 1993 · 1993
RTECS: 5992700 · AY5992700
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.