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Basic Information
CAS No.: 3750-26-3
Name: 5-(Acetylamino)-4-oxo-5-hexenamide
Molecular Structure:
Molecular Structure of 3750-26-3 (5-(Acetylamino)-4-oxo-5-hexenamide)
Formula: C8H12N2O3
Molecular Weight: 184.22
Synonyms: 5-Hexenamide,5-(acetylamino)-4-oxo;Primocarcin;5-(Acetylamino)-4-oxo-5-hexenamide;5-HEXENAMIDE,5-ACETAMIDO-4-OXO;Primocarcin,5-Acetamino-4-oxohex-5-ensaeureamid;5-Acetamino-4-oxo-hex-5-ensaeure-amid;4-Acetamido-4-penten-3-one-1-carboxamide;
Density: 1.155g/cm3
Melting Point: 130-131°
Boiling Point: 544.5°C at 760 mmHg
Flash Point: 283.1°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 89.26000
LogP: 0.56200
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Chemistry

Product Name: Primocarcin (CAS NO.3750-26-3)


Molecular Formula: C8H12N2O3
Molecular Weight: 184.22g/mol
Mol File: 3750-26-3.mol
Boiling point: 544.5 °C at 760 mmHg
Flash Point: 283.1 °C
Density: 1.155 g/cm3
Surface Tension: 42.9 dyne/cm
Enthalpy of Vaporization: 82.31 kJ/mol
Vapour Pressure: 6.47E-12 mmHg at 25°C
XLogP3-AA: -1.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Primocarcin (CAS NO.3750-26-3):
  IUPAC Name: 5-acetamido-4-oxohex-5-enamide
  Canonical SMILES: CC(=O)NC(=C)C(=O)CCC(=O)N
  InChI: InChI=1S/C8H12N2O3/c1-5(10-6(2)11)7(12)3-4-8(9)13/h1,3-4H2,2H3,(H2,9,13)(H,10,11) 
  InChIKey: DVMKENULKFKEFR-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55500ug/kg (55.5mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 250, 1962.
mouse LD50 intravenous 300mg/kg (300mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 77, 1962.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Primocarcin ,its CAS NO. is 3750-26-3,the synonyms is 4-Acetamido-4-penten-3-one-1-carboxamide ; 5-(Acetylamino)-4-oxo-5-hexenamide ; BRN 2415620 ; NSC 525602 ; 5-Hexenamide, 5-(acetylamino)-4-oxo- (9CI) .