2,2-Diethoxyacetamide

HCID 100765CAS 61189-99-9

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(OCC)C(N)=O
InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N
Molecular formula: C6H13NO3
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.08954328

Names & identifiers

Preferred name: 2,2-Diethoxyacetamide
IUPAC: 2,2-diethoxyacetamide
English name: 2,2-DIETHOXYACETAMIDE
Molecular formula: C6H13NO3
Molecular weight: 147.17

Names & synonyms

2,2-Diethoxyacetamide61189-99-9EINECS 262-647-7DTXSID90210075NSC 363000RefChem:80994DTXCID90132566262-647-7Acetamide, 2,2-diethoxy-diethoxyacetamideMFCD00044023NSC363000

Show more names

2,2-DiethoxyacetaMide 97%2,2-Diethoxyacetamide,99%

ZN8XXW4Z7UNSC-363000Glyoxylamide, diethyl acetalSCHEMBL559406Acetamide,2,2-diethoxy-Glyoxylic amide diethyl acetal2,2-Diethoxyacetami2,2-Diethoxyacetamide, 97%

Database identifiers

CAS: 61189-99-9
PubChem CID: 100765
DTXSID: DTXSID90210075
UNII: ZN8XXW4Z7U
EC Number: 262-647-7
Nikkaji: J268.407A

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 99.2

Physicochemical properties

Melting point: 76 · 76-78 °C (lit.)
Boiling point: 217 ℃ · 217℃
Density: 1.04 · 1.040
refractive index: 1.424 · 1.4240 (estimate)
Flash point: 85 ℃ · 85℃
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
BRN: 1760414 · 1760414
InChI: InChI=1S/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)
InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N
SMILES: C(N)(=O)C(OCC)OCC
FDA UNII: 8 XXW4Z7U · ZN8XXW4Z7U
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 10 · 10-21
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Safety data

F: 10-21
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses2,2-Diethoxyacetamide participates in the synthesis of pyridine-containing central domain of the amythiamicin group of thiopeptide antibiotics.