Acetamide,N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- supplier

Name
N-{4-[bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
EINECS
CAS No. 64977-03-3
Density 1.359 g/cm³
Solubility
Melting Point
Formula C₁₂H1₅Cl₃N₂O
Boiling Point 496.3 °C at 760 mmHg
Molecular Weight 309.623
Flash Point 254 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 260490;N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide;
PSA
LogP

Acetamide,N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- Specification

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

Product Name

N-{4-[bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide

Acetamide,N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloro- Specification

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