3-(Methylamino)propanenitrile

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Names

[ CAS No. ]:
693-05-0

[ Name ]:
3-(Methylamino)propanenitrile

[Synonym ]:
MFCD00001954
Propanenitrile, 3-(methylamino)-
3-(Methylamino)propanenitrile
Propanenitrile, 3- (methylamino)-
EINECS 211-740-0
β-(Methylamino)propionitrile
3-Methyl aminopropionitrile

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
180.7±23.0 °C at 760 mmHg

[ Melting Point ]:
-21ºC

[ Molecular Formula ]:
C4H8N2

[ Molecular Weight ]:
84.120

[ Flash Point ]:
63.1±22.6 °C

[ Exact Mass ]:
84.068748

[ PSA ]:
35.82000

[ LogP ]:
-0.79

[ Vapour Pressure ]:
0.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.412

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ4910000
CHEMICAL NAME :
Propanenitrile, 3-(methylamino)-
CAS REGISTRY NUMBER :
693-05-0
BEILSTEIN REFERENCE NO. :
1699160
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C4-H8-N2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2260 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Kidney, Ureter, Bladder - hematuria
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2260 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 gm/kg/5D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TZ4910000

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acrylonitrile
  • methylamine
  • 3-Methyl-2-oxazolidone
  • Methanol

DownStream

  • 4-[2-cyanoethyl(methyl)amino]butanenitrile
  • N-(2-cyanoethyl)-N-methylbenzamide
  • N-Methyl-N-[4-(methylsulfonyl)-2-nitrophenyl]amine
  • 3-(methyl(4-(methylsulfonyl)-2-nitrophenyl)amino)propanenitrile
  • 1-(Methylamino)anthraquinone
  • N-METHYL-1,3-PROPANEDIAMINE
  • N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-2-CYANOETHYLAMINE
  • Ethyl N-methyl-β-alaninate
  • 4-Chloro-N-methyl-2-nitroaniline
  • 2-nitro-4-chloro-N-methyl-N-β-cyanoethylaniline

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 2-methyl-3-(methylamino)propanenitrile
  • 3-[(4-methoxyphenyl)methylamino]propanenitrile
  • 3-[(2-chlorophenyl)methylamino]propanenitrile
  • 3-[[4-[(2-methoxyphenyl)diazenyl]phenyl]methylamino]propanenitrile
  • 3-[[4-[(4-methoxyphenyl)diazenyl]phenyl]methylamino]propanenitrile
  • 3-[[4-[(4-chlorophenyl)diazenyl]phenyl]methylamino]propanenitrile
  • 4-Hydroxy-6-methoxy-3-nitrocoumarin
  • Ethyl 3-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-YL]amino}benzoate
  • N-(4-Methoxy-3-nitro-phenyl)-isonicotinamide
  • CID 53231009
  • 5-(tert-Butyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzaldehyde
  • 4-Tert-butyl-1-ethynyl-2-nitrobenzene
  • 5-(3-t-Butylsulfamoylphenyl)-2-fluorobenzoic acid
  • 3-(4-Cbz-Aminopheny)-4-fluorobenzoic acid
  • 1-Acetyl-4,5-difluoroindolin-2-one
  • 1-(2,6-Difluorophenyl)cyclobutan-1-ol
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