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1738-25-6

Basic Information
CAS No.: 1738-25-6
Name: Dimethylaminopropionitrile
Article Data: 40
Molecular Structure:
Molecular Structure of 1738-25-6 (Dimethylaminopropionitrile)
Formula: C5H10N2
Molecular Weight: 98.1478
Synonyms: Propionitrile,3-(dimethylamino)- (6CI,7CI,8CI);3-(Dimethylamino)propanenitrile;3-(Dimethylamino)propionitrile;3-(N,N-Dimethylamino)propionitrile;DMAPN;3-(Dimethylamino)-propanenitrile;N,N-Dimethyl-2-cyanoethylamine;N,N-Dimethylamino-3-propionitrile;NSC 232;b-(Dimethylamino)propionitrile;b-N-Dimethylaminopropionitrile;
EINECS: 217-090-4
Density: 0.879 g/cm3
Melting Point: -43 °C(lit.)
Boiling Point: 173.853 °C at 760 mmHg
Flash Point: 62.778 °C
Solubility: 0.5 g/L (20 °C) in water
Appearance: clear colorless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36-36/38-21
Safety: 26-36/37-24/25
Transport Information: UN 2927
PSA: 27.03000
LogP: 0.46168
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Chemistry

Molecular Structure of 3-(Dimethylamino)-propanenitrile (CAS NO.1738-25-6):

EINECS: 217-090-4
IUPAC Name: 3-(Dimethylamino)propanenitrile 
Molecular Formula: C5H10N2
Molecular Weight: 98.146300 g/mol
XLogP3-AA: 0
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CN(C)CCC#N
InChI: InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
InChIKey: MTPJEFOSTIKRSS-UHFFFAOYSA-N
Index of Refraction: 1.429
Molar Refractivity: 28.84 cm3
Molar Volume: 111.7 cm3
Surface Tension: 31.7 dyne/cm
Density: 0.878 g/cm3
Flash Point: 62.8 °C
Enthalpy of Vaporization: 41.02 kJ/mol
Boiling Point: 173.9 °C at 760 mmHg
Vapour Pressure: 1.24 mmHg at 25 °C
Melting Point: -43 °C(lit.)
Water Solubility: 1e+0.06 mg/L at 25 °C
Refractive Index: n20/D 1.426(lit.)
Storage Temp.: 2-8 °C
BRN: 0773779
Product Categories: Aromatic Nitriles

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,923.
2.    

eye-rbt 20 mg/24H MOD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,923.
3.    

orl-rat LD50:2600 mg/kg

    DCTODJ    Drug and Chemical Toxicology. 2 (1979),223.
4.    

ivn-mus LD50:180 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00201 .
5.    

skn-rbt LD50:1410 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Safety Information of 3-(Dimethylamino)-propanenitrile (CAS NO.1738-25-6):
Hazard Codes: Xn
Risk Statements: 22-36-36/38-21
22: Harmful if swallowed
36: Irritating to the eyes
36/38: Irritating to eyes and skin
21: Harmful in contact with skin
Safety Statements: 26-36/37-24/25
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37: Wear suitable protective clothing and gloves
24/25: Avoid contact with skin and eyes
RIDADR: 2927
WGK Germany: 1
RTECS: UG1575000
HazardClass: 6.1(a)
PackingGroup: II
HS Code: 29269095
F: 8
Poison by intravenous route. Moderately toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat, flame, or oxidizers; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits highly toxic fumes of NOx and CN. See also NITRILES.

Specification

  3-(Dimethylamino)-propanenitrile (CAS NO.1738-25-6) is known as Dimethylaminopropionitrile ; 3-(Dimethylamino)propanenitrile ; 3-(Dimethylamino)propionitrile ; 3-(N,N-Dimethylamino)propionitrile ; 3-Dimethylaminopropannitril ; 3-Dimethylaminopropannitril [Czech] ; 4-04-00-02533 (Beilstein Handbook Reference) ; AI3-25451 ; Dmapn ; HSDB 5029 ; N,N-(Dimethylamino)-3-propionitrile ; NSC 232 ; Propanenitrile, 3-(dimethylamino)- ; Propionitrile, 3-(dimethylamino)- ; beta-(N-Dimethylamino)propionitrile ; beta-Dimethylaminopropionitrile ; 3-Dimethylaminopropiononitrile ; Propionitrile, 3-(dimethylamino)- with appearance of colorless to yellow clear liquid. It is incompatible with strong oxidizing agents, acids, acid chlorides, Carbon dioxide , acid anhydrides. When heated to decomposition, it yields irritating and toxic fumes and gases.