N,N-Diethylglycine Methyl Ester

HCID 559451

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Basic information

CAS: 30280-35-4
Standard SMILES: CCN(CC)CC(=O)OC
InChIKey: YLZLHVWLTRZOJH-UHFFFAOYSA-N
Molecular formula: C7H15NO2
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.11027872

Names & identifiers

Preferred name: N,N-Diethylglycine Methyl Ester
IUPAC: methyl 2-(diethylamino)acetate
English name: N,N-Diethylglycine methyl ester
Molecular formula: C7H15NO2
Molecular weight: 145.2

Names & synonyms

N,N-Diethylglycine methyl ester30280-35-4DTXSID00339887RefChem:161194DTXCID40290968679-731-8YLZLHVWLTRZOJH-UHFFFAOYSA-Nmethyl 2-(diethylamino)acetateGlycine, N,N-diethyl-, methyl esterMFCD00059368methyl n,n-diethylglycinatemethyl2-(diethylamino)acetate

Show more names

Methyl 2-(diethylamino)diethylglycinemethylesterN,N-Diethylglycine Methyl Ester >N,N-DIETHYLGLYCINE METHYL ESTER USP/EP/BP

SCHEMBL707591Methyl (diethylamino)acetate #SCHEMBL8886324diethylaminoacetic acid methyl esterAKOS005188277BS-22253SY054470CS-0205307

Database identifiers

CAS: 30280-35-4
PubChem CID: 559451
DTXSID: DTXSID00339887
EC Number: 679-731-8
Nikkaji: J208.353A

Properties

Computed structural properties

XLogP: 0.9
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: 99

Physicochemical properties

Boiling point: 86 °C · 86 °C / 57mmHg
Density: 0.93 · 0.93
refractive index: 1.422 · 1.4220-1.4250
storage temp.: 0 · 0-10°C
pka: 8.33 · 8.33±0.25(Predicted)
form: clear liquid
color: Colorless to Light orange to Yellow
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
RIDADR: 1993 · 1993
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2922498590 · 2922498590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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

ridadr: 1993
hs_code: 2922498590
Signal word: Warning
Symbol(GHS): GHS02
hazard_class: 3
packing_group: III
Hazard statements: H226
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501