Basic information
- CAS
18071-38-0- Standard SMILES
CCCCN(CC#N)CCCC- InChIKey
ZPVXOYNIUUYGQD-UHFFFAOYSA-N- Molecular formula
- C10H20N2
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.16264865
Names & identifiers
- Preferred name
- (Dibutylamino)acetonitrile
- IUPAC
- 2-(dibutylamino)acetonitrile
- English name
- (dibutylamino)acetonitrile
- Molecular formula
- C10H20N2
- Molecular weight
- 168.28
Names & synonyms
(Dibutylamino)acetonitrile18071-38-02-(dibutylamino)acetonitrileEINECS 241-979-6DTXSID00170999RefChem:406126DTXCID3093490241-979-6(Di-N-Butylamino)AcetonitrileAcetonitrile, 2-(dibutylamino)-Acetonitrile,2-(dibutylamino)-6054AD
Show more names
N,N-DIBUTYLGLYCINONITRILE
SCHEMBL240366DI-n-BUTYLAMINOACETONITRILEZPVXOYNIUUYGQD-UHFFFAOYSA-NAKOS009256749NS00025946
Database identifiers
- CAS
18071-38-0- PubChem CID
- 87443
- DTXSID
DTXSID00170999- EC Number
- 241-979-6
- Nikkaji
- J260.863D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 85 °C · 85 °C
- Density
- 0.8896 g/cm3 · 0.8896 g/cm3
- pka
- 5.39 · 5.39±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Service Chemical Inc.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…