Monoacetylcadaverine supplier

Name
monoacetylcadaverine
EINECS
CAS No. 32343-73-0
Article Data6
CAS DataBase
Density 0.938 g/cm³
Solubility
Melting Point
Formula C₇H₁₆N₂O
Boiling Point 312.3 °C at 760 mmHg
Molecular Weight 144.217
Flash Point 142.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetylcadaverine;Monoacetyl cadaverine;N-Acetylcadaverine;
PSA 58.61000
LogP 1.79210

Monoacetylcadaverine Specification

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

Product Name

monoacetylcadaverine

Monoacetylcadaverine Specification

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