N,N-Diisopropylaminoacetonitrile
Basic information
- CAS
19699-38-8- Standard SMILES
CC(C)N(CC#N)C(C)C- InChIKey
KRHUHTLKXFFVGB-UHFFFAOYSA-N- Molecular formula
- C8H16N2
- Average molar mass
- 140.23 g/mol
- Monoisotopic mass
- 140.13134852
Names & identifiers
- Preferred name
- N,N-Diisopropylaminoacetonitrile
- IUPAC
- 2-[di(propan-2-yl)amino]acetonitrile
- English name
- Diisopropylaminoacetonitrile
- Molecular formula
- C8H16N2
- Molecular weight
- 140.23
Names & synonyms
N,N-DIISOPROPYLAMINOACETONITRILERefChem:822355622-921-2Diisopropylaminoacetonitrile54714-49-72-(diisopropylamino)acetonitrile(Diisopropylamino)Acetonitrile2-[di(propan-2-yl)amino]acetonitrile19699-38-8NSC26718Acetonitrile, [bis(1-methylethyl)amino]-SCHEMBL953248
Show more names
N,N-DiisopropylacetonitrileDiisopropylaminoacetonirileAcetonitrile, 2-[bis(1-methylethyl)amino]-
DTXSID70941456KRHUHTLKXFFVGB-UHFFFAOYSA-N[Di(propan-2-yl)amino]acetonitrileNSC-26718AKOS005216576
Database identifiers
- CAS
19699-38-8、54714-49-7- PubChem CID
- 231128
- DTXSID
DTXSID70941456- EC Number
- 622-921-2
- Nikkaji
- J1.740.766J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 61 °C/3/ · 61°C/3/ 10mm
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H317-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- C
- HazardClass
- CORROSIVE
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- hazard_class
- CORROSIVE
- Hazard statements
- H318-H335-H317-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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