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19699-38-8 molecular structure
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2-[bis(propan-2-yl)amino]acetonitrile

ChemBase ID: 10700
Molecular Formular: C8H16N2
Molecular Mass: 140.22604
Monoisotopic Mass: 140.13134852
SMILES and InChIs

SMILES:
N(CC#N)(C(C)C)C(C)C
Canonical SMILES:
CC(N(C(C)C)CC#N)C
InChI:
InChI=1S/C8H16N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,6H2,1-4H3
InChIKey:
KRHUHTLKXFFVGB-UHFFFAOYSA-N

Cite this record

CBID:10700 http://www.chembase.cn/molecule-10700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[bis(propan-2-yl)amino]acetonitrile
IUPAC Traditional name
2-(diisopropylamino)acetonitrile
Synonyms
DIISOPROPYLAMINOACETONITRILE
(Diisopropylamino)acetonitrile
CAS Number
19699-38-8
54714-49-7
MDL Number
MFCD00026373
PubChem SID
160974007
PubChem CID
231128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 231128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.25019068  LogD (pH = 7.4) 1.2234911 
Log P 1.2728676  Molar Refractivity 43.3868 cm3
Polarizability 16.83952 Å3 Polar Surface Area 27.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
61°C-3/ 10mm expand Show data source
Storage Warning
CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202025 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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