2-(Diethylamino)acetonitrile

HCID 44983
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Basic information

CAS
3010-02-4
Standard SMILES
CCN(CC)CC#N
InChIKey
LVPZSMIBSMMLPI-UHFFFAOYSA-N
Molecular formula
C6H12N2
Average molar mass
112.17 g/mol
Monoisotopic mass
112.10004838

Names & identifiers

Preferred name
2-(Diethylamino)acetonitrile
IUPAC
2-(diethylamino)acetonitrile
English name
N,N-Diethylcyanoacetamide
Molecular formula
C6H12N2
Molecular weight
112.17

Names & synonyms

Diethylaminoacetonitrile3010-02-42-(Diethylamino)acetonitrile(Diethylamino)acetonitrile468YW0H2FAAcetonitrile, 2-(diethylamino)-EINECS 221-130-6NSC 15878NSC-15878BRN 0969468UNII-468YW0H2FADTXSID8062781
Show more names
N,N-DiethylcyanoacetTrolamine Impurity 19N,N-DIETHYLCYANOACTAMIDEn,n-diethyl-glycinonitrilN,N-DIETHYLGLYCINONITRILE(diethylamino)-acetonitrilN,N-DIETHYL-2-CYANOACETAMIDEDiethylaminoacetonitrile,95%
4-04-00-02378 (Beilstein Handbook Reference)RefChem:84667DTXCID4038136InChI=1/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2HLVPZSMIBSMMLPI-UHFFFAOYSA-NN,N-DiethylaminoacetonitrileAcetonitrile, (diethylamino)-Glycinonitrile, N,N-diethyl-

Database identifiers

CAS
3010-02-4
PubChem CID
44983
DTXSID
DTXSID8062781
UNII
468YW0H2FA
EC Number
221-130-6
Nikkaji
J27.770C

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
170 °C · 170 °C(lit.)
Density
0.866 g/mL · 0.866 g/mL at 25 °C(lit.)
vapor pressure
760 mm · 760 mm Hg ( 170 °C)
refractive index
20 · n20/D 1.426(lit.)
Flash point
129 °F · 129 °F
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 200 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: (diethylamino)acetonitrile (EC: 221-130-6)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk
3
tsca
TSCA listed
rtecs
AL8575000
ridadr
UN 3275 6.1/PG 2
hs_code
29269095
risk_code
10-23/24/25-41-36

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetonitrile, 2-(diethylamino)-: ACTIVE

Applications

UsesN,N-Diethylaminoacetonitrile as a formyl anion and formaldehyde dianion equivalent; synthesis of α-amino nitriles, α-amino-β- hydroxy nitriles, aldehydes, ketones, and α,β-enals.

Preparation methods

PreparationN,N-Diethylaminoacetonitrile is prepared from diethylamine, formaldehyde, sodium cyanide, and sodium disulfite.[1]

Upstream & downstream products

Suppliers39 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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Compound notes

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