Morpholine-3-carboxamide

HCID 19792002CAS 848488-74-4

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Basic information

Standard SMILES: NC(=O)C1COCCN1
InChIKey: YPSPPJRTCRMQGD-UHFFFAOYSA-N
Molecular formula: C5H10N2O2
Average molar mass: 130.15 g/mol
Monoisotopic mass: 130.07422757

Names & identifiers

Preferred name: Morpholine-3-carboxamide
IUPAC: morpholine-3-carboxamide
English name: Morpholine-3-carboxylic acid amide
Molecular formula: C5H10N2O2
Molecular weight: 130.15

Names & synonyms

morpholine-3-carboxamide848488-74-4RefChem:819507841-865-1Morpholine-3-carboxylic acid amide3-MorpholinecarboxamideMFCD12406987SCHEMBL1317533SCHEMBL2439644SCHEMBL3563676YPSPPJRTCRMQGD-UHFFFAOYSA-NYIB48874

Show more names

AKOS006340095CCG-211498SB39000AS-48062DA-17434CS-0225595EN300-124383F17613

Database identifiers

CAS: 848488-74-4
PubChem CID: 19792002
EC Number: 841-865-1

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 350 · 350.0±37.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
pka: 16.36 · 16.36±0.20(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses3-Morpholinecarboxamide is derived from 3-Morpholinecarbonitrile (M723800), which is used as a reactant in the synthesis of N-methyl pyrimidone derivatives as potent and orally bioavailable HIV integrase inhibitors.