4-Morpholinebutanenitrile

HCID 294574

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Basic information

CAS: 5807-11-4
Standard SMILES: N#CCCCN1CCOCC1
InChIKey: DNHBZJPTXSALLZ-UHFFFAOYSA-N
Molecular formula: C8H14N2O
Average molar mass: 154.21 g/mol
Monoisotopic mass: 154.11061307

Names & identifiers

Preferred name: 4-Morpholinebutanenitrile
IUPAC: 4-morpholin-4-ylbutanenitrile
English name: 4-Morpholinobutyronitrile
Molecular formula: C8H14N2O
Molecular weight: 154.21

Names & synonyms

5807-11-44-Morpholinebutanenitrile4-MORPHOLINEBUTYRONITRILEDTXSID80303900RefChem:525757DTXCID40255032654-592-64-morpholinobutanenitrile4-morpholin-4-ylbutanenitrile4-(morpholin-4-yl)butanenitrile4-morpholinobutyronitrileMFCD00023393

Show more names

4-(1,4-oxazinan-4-yl)butanenitrile

4-(4-morpholinyl)butanenitrileNSC-1633774-Morpholinobutanenitrile; 4-Morpholinobutyronitrile; NSC 1633774-Morpholin-4-Yl-ButyronitrileNSC163377JXB4BZ258KSCHEMBL149409DNHBZJPTXSALLZ-UHFFFAOYSA-N

Database identifiers

CAS: 5807-11-4
PubChem CID: 294574
DTXSID: DTXSID80303900
UNII: JXB4BZ258K
EC Number: 654-592-6
Nikkaji: J2.446.119J

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Boiling point: 142 °C · 142 °C(Press: 15 Torr)
Density: 1.0031 g/cm3 · 1.0031 g/cm3
storage temp.: Sealed in dry,Room Temperature
pka: 6.82 · 6.82±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 260 · P260-P280-P312
RIDADR: 3276 · UN3276
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

ridadr: UN3276
hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P280-P312