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Name |
Monoacetylcadaverine |
EINECS | N/A |
CAS No. | 32343-73-0 | Density | 0.938 g/cm3 |
PSA | 58.61000 | LogP | 1.79210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H16N2O | Boiling Point | 312.3 °C at 760 mmHg |
Molecular Weight | 144.217 | Flash Point | 142.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetylcadaverine;Monoacetyl cadaverine;N-Acetylcadaverine; |
Article Data | 6 |
The IUPAC name of Monoacetylcadaverine is N-(5-aminopentyl)acetamide. With the CAS registry number 32343-73-0, it is also named as Acetamide, N-(5-aminopentyl)-. In addition, its molecular formula is C7H16N2O and molecular weight is 144.2147.
The other characteristics of Monoacetylcadaverine can be summarized as: (1)ACD/LogP: -0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.97; (4)ACD/LogD (pH 7.4): -3.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 41.63 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 16.5×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.938 g/cm3; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000533 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NCCCCCN)C
(2)InChI: InChI=1/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)
(3)InChIKey: RMOIHHAKNOFHOE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)
(5)Std. InChIKey: RMOIHHAKNOFHOE-UHFFFAOYSA-N