Basic information
- CAS
5336-75-4- Standard SMILES
CCN(CC)CCCC#N- InChIKey
NUVVGLXJJPTXRJ-UHFFFAOYSA-N- Molecular formula
- C8H16N2
- Average molar mass
- 140.23 g/mol
- Monoisotopic mass
- 140.13134852
Names & identifiers
- Preferred name
- 4-Diethylaminobutyronitrile
- IUPAC
- 4-(diethylamino)butanenitrile
- English name
- 4-(Diethylamino)butanenitrile
- Molecular formula
- C8H16N2
- Molecular weight
- 140.23
Names & synonyms
4-DiethylaminobutyronitrileButanenitrile, 4-(diethylamino)-EINECS 226-259-1AI3-19356NSC 366RefChem:522510226-259-14-(diethylamino)butanenitrile5336-75-4NSC366MFCD00019893gamma-Diethylaminobutyronitrile
Show more names
4-(Diethylamino)butanenitrile,97%4-(DIETHYLAMINO)BUTANENITRILE 97%
SCHEMBL153175DTXSID70902729NSC-366NUVVGLXJJPTXRJ-UHFFFAOYSA-Npropane, 1-cyano-3-diethylamino-4-(DIETHYLAMINO)BUTYRONITRILEGEO-010334-(DIETHYLAMINO)-BUTYRONITRILE
Database identifiers
- CAS
5336-75-4- PubChem CID
- 79262
- DTXSID
DTXSID70902729- EC Number
- 226-259-1
- Nikkaji
- J217.899K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 89 · 89-90 °C (9 mmHg)
- Density
- 0.84 · 0.84
- refractive index
- 1.435 · 1.435-1.437
- form
- Liquid
- color
- Clear yellow to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- HS Code
- 29269095 · 29269095
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29269095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
天津安浩生物科技有限公司[email protected]
山东小野化学股份有限公司0539-6362799 20）
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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