China (Mainland)
Acetamide,N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- CAS NO.64977-03-3
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Keywords
- N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
- NSC 260490
- NSC 260490
Quick Details
- ProName: Acetamide,N-[4-[bis(2-chloroethyl)amin...
- CasNo: 64977-03-3
- Application: The Acetamide, N-[4-[bis(2-chloroethyl...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- LimitNum: 0 Metric Ton
Superiority
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
Details
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