CAS 15029-32-0 4-(Cyanoacetyl)morpholine (HCID 229279)

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Basic information

CAS: 15029-32-0
Standard SMILES: N#CCC(=O)N1CCOCC1
InChIKey: AUZPMUJGZZSMCP-UHFFFAOYSA-N
Molecular formula: C7H10N2O2
Average molar mass: 154.17 g/mol
Monoisotopic mass: 154.07422756

Names & identifiers

Preferred name: 4-(Cyanoacetyl)morpholine
IUPAC: 3-morpholin-4-yl-3-oxopropanenitrile
English name: N-Cyanoacetylmorpholine
Molecular formula: C7H10N2O2
Molecular weight: 154.17

Names & synonyms

15029-32-03-morpholino-3-oxopropanenitrile4-(Cyanoacetyl)morpholineN-Cyanoacetylmorpholine3-(morpholin-4-yl)-3-oxopropanenitrile4-cyanoacetylmorpholineMorpholine, 4-(cyanoacetyl)-3-morpholin-4-yl-3-oxopropanenitrileCyanoacetmorpholideMFCD000233531-(Cyanoacetyl)morpholine3-(4-Morpholinyl)-3-oxopropanenitrile

Show more names

AKOS B028857AKOS BBS-00006373BUTTPARK 33\06-07WLN: T6N DOTJ AV1CNRARECHEM BG FB 0100cyanoaceticacidmorpholide4-(cyanoacetyl)-morpholin

b-Oxo-4-morpholinepropanenitrileAcetonitrile, (morpholinocarbonyl)-(Morpholinocarbonyl)acetonitrileACETONITRILE, MORPHOLINOCARBONYL-4-Morpholinepropanenitrile, .beta.-oxo-NSC227913-morpholin-4-yl-3-oxo-propionitrileMaybridge1_003148

Database identifiers

CAS: 15029-32-0
PubChem CID: 229279
DTXSID: DTXSID70864550
EC Number: 239-112-1
Nikkaji: J55.006J

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 87 °C · 87 °C
Boiling point: 277.52 °C · 277.52°C (rough estimate)
Density: 1.2293 · 1.2293 (rough estimate)
refractive index: 1.488 · 1.4880 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 5.48 · 5.48±0.20(Predicted)
form: powder
color: Pale brown
BRN: 135525 · 135525
CAS DataBase Reference: 15029 · 15029-32-0(CAS DataBase Reference)
EPA Substance Registry System: 4 · Morpholine, 4-(cyanoacetyl)- (15029-32-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.