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Name |
Acetamide,N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- |
EINECS | N/A |
CAS No. | 64977-03-3 | Density | 1.359 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15Cl3N2O | Boiling Point | 496.3 °C at 760 mmHg |
Molecular Weight | 309.623 | Flash Point | 254 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 260490;N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide; |
The Acetamide, N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro-, with the CAS registry number 64977-03-3, is also known as NSC 260490. This chemical's molecular formula is C12H15Cl3N2O and molecular weight is 309.6193. What's more, its systematic name is N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide.
Physical properties about Acetamide, N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 24.35; (6)ACD/BCF (pH 7.4): 30.94; (7)ACD/KOC (pH 5.5): 319.25; (8)ACD/KOC (pH 7.4): 405.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 78.65 cm3; (15)Molar Volume: 227.6 cm3; (16)Polarizability: 31.17×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 254 °C; (20)Enthalpy of Vaporization: 76.41 kJ/mol; (21)Boiling Point: 496.3 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)Nc1ccc(N(CCCl)CCCl)cc1
(2) InChI: InChI=1/C12H15Cl3N2O/c13-5-7-17(8-6-14)11-3-1-10(2-4-11)16-12(18)9-15/h1-4H,5-9H2,(H,16,18)
(3) InChIKey: ADSXPFDEODWMAJ-UHFFFAOYAY