2-Propenamide, N-(methoxymethyl)-

HCID 77203

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3644-11-9
Standard SMILES: C=CC(=O)NCOC
InChIKey: ULYOZOPEFCQZHH-UHFFFAOYSA-N
Molecular formula: C5H9NO2
Average molar mass: 115.13 g/mol
Monoisotopic mass: 115.06332853

Names & identifiers

Preferred name: 2-Propenamide, N-(methoxymethyl)-
IUPAC: N-(methoxymethyl)prop-2-enamide
English name: N-(methoxymethyl)acrylamide
Molecular formula: C5H9NO2
Molecular weight: 115.13

Names & synonyms

N-(Methoxymethyl)acrylamide3644-11-9N-(Methoxymethyl)-2-propenamideMethoxymethylacrylamide2-Propenamide, N-(methoxymethyl)-BRN 1811810Acrylamide, N-(methoxymethyl)-EINECS 222-871-8DTXSID00189960RefChem:478847DTXCID60112451222-871-8

Show more names

2MAn-(methoxymethyl)-acrylamidn-(methoxymethyl)-2-propenamidN-(Methoxymethyl)acrylamide (stabilized with MEHQ)

N-(methoxymethyl)prop-2-enamideMFCD00800996N-methoxymethyl-acrylamideN-(Methoxymethyl)acrylamidSCHEMBL138455N-methoxymethylacrylic acid amideAKOS006347294M2348

Database identifiers

CAS: 3644-11-9
PubChem CID: 77203
DTXSID: DTXSID00189960
EC Number: 222-871-8
Nikkaji: J107.708B

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 90.4

Physicochemical properties

Melting point: -3 · -3-1 °C
Boiling point: 215.41 °C · 215.41°C (rough estimate)
Density: 1.1808 · 1.1808 (rough estimate)
vapor pressure: 2.04 Pa · 2.04Pa at 25℃
refractive index: 1.4538 · 1.4538 (estimate)
Flash point: 88 °C · 88 °C
pka: 13.36 · 13.36±0.46(Predicted)
Specific Gravity: 1.05 · 1.05
Water Solubility: 312.8 g/L · 312.8g/L at 25℃
Sensitive: Heat Sensitive
LogP: -0.56 at · -0.56 at 25℃
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22999

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS06
Hazard statements: H301-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501