4-Diisopropylaminobutyronitrile
Basic information
- CAS
13858-50-9- Standard SMILES
CC(C)N(CCCC#N)C(C)C- InChIKey
SWVUWKUFMMUEDC-UHFFFAOYSA-N- Molecular formula
- C10H20N2
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.16264865
Names & identifiers
- Preferred name
- 4-Diisopropylaminobutyronitrile
- IUPAC
- 4-[di(propan-2-yl)amino]butanenitrile
- English name
- 4-diisopropylaminobutyronitrile
- Molecular formula
- C10H20N2
- Molecular weight
- 168.28
Names & synonyms
4-DiisopropylaminobutyronitrileEINECS 237-593-2DTXSID20160716NSC 76610RefChem:522518DTXCID5083207237-593-24-(diisopropylamino)butanenitrile13858-50-94-(Diisopropylamino)Butyronitrile4-[di(propan-2-yl)amino]butanenitrile4-[Bis(1-methylethyl)amino]butanenitrile
Show more names
Butanenitrile, 4-[bis(1-methylethyl)amino]-
NSC-76610NSC76610SM8SNU3AV3SCHEMBL152625SWVUWKUFMMUEDC-UHFFFAOYSA-NAKOS0063430584-(DIISOPROPYLAMINO)-BUTYRONITRILENS00024486
Database identifiers
- CAS
13858-50-9- PubChem CID
- 83775
- DTXSID
DTXSID20160716- UNII
- SM8SNU3AV3
- EC Number
- 237-593-2
- Nikkaji
- J280.341K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 124 · 124-127 °C(Press: 33 Torr)
- Density
- 0.863 · 0.863±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.19 · 10.19±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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