4-Morpholineacetonitrile
Basic information
- CAS
5807-02-3- Standard SMILES
N#CCN1CCOCC1- InChIKey
OOSOCAXREAGIGA-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931294
Overview
4-Morpholineacetonitrile is a member of morpholines.
Names & identifiers
- Preferred name
- 4-Morpholineacetonitrile
- IUPAC
- 2-morpholin-4-ylacetonitrile
- English name
- MORPHOLINOACETONITRILE
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
Morpholinoacetonitrile5807-02-34-MORPHOLINEACETONITRILEN-CyanomethylmorpholineAcetonitrile, morpholino-4-MorpholinoacetonitrileV35MDX4B7LNSC 47256EINECS 227-366-6NSC 14518NSC-14518NSC-47256
Show more names
morpholino-acetonitrilN-ACETONITRILE MORPHOLINE4-MorpholinylacetonitrileMorpholinoacetonitrile>2-(Morpholin-4-yl)acetonitrile
BRN 0111715DTXSID902067914-27-00-00327 (Beilstein Handbook Reference)RefChem:525755DTXCID201292822-Morpholinoacetonitrilemorpholin-4-ylacetonitrile2-morpholin-4-ylacetonitrile
Database identifiers
- CAS
5807-02-3- PubChem CID
- 22055
- DTXSID
DTXSID90206791- ChEMBL
CHEMBL1191352- ChEBI
CHEBI:229433- UNII
- V35MDX4B7L
- EC Number
- 227-366-6
- Nikkaji
- J41.769F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 62 °C · 62°C
- Boiling point
- 124 °C · 124 °C / 23mmHg
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.79 · 2.79±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 5807 · 5807-02-3
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 35 MDX4B7L · V35MDX4B7L
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H302+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P262-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)
Safety data
- rtecs
- QD6650000
- ridadr
- 2811
- hs_code
- 2934999090
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 36/37/39
- hazard_class
- IRRITANT
- packing_group
- II
- Hazard statements
- H310-H302+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P262-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
11 records
Compound notes
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