CAS No.72791-76-5,N-CBZ-N,N-BIS(2-CHLOROETHYL)AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72791-76-5
Name:	N-CBZ-N,N-BIS(2-CHLOROETHYL)AMINE
Article Data:	13

Formula:	C₁₂H₁₅Cl₂NO₂
Molecular Weight:	276.163
Synonyms:	Carbamicacid, bis(2-chloroethyl)-, phenylmethyl ester (9CI);Benzylbis(2-chloroethyl)carbamate;Bis(2-chloroethyl)carbamic acid benzyl ester;DMU311;N,N-Bis(2-chloroethyl)carbamic acid benzyl ester;
Density:	1.245 g/cm³
Boiling Point:	376.9 °C at 760 mmHg
Flash Point:	181.8 °C
PSA:	29.54000
LogP:	3.10280

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Specification

This chemical is called N-Cbz-N,N-bis(2-chloroethyl)amine, and its systematic name is benzyl bis(2-chloroethyl)carbamate. With the molecular formula of C₁₂H₁₅Cl₂NO₂, its molecular weight is 276.16. The CAS registry number of this chemical is 276.16. Additionally, its product category is Pharmacetical.

Other characteristics of the N-Cbz-N,N-bis(2-chloroethyl)amine can be summarised as followings: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 232.17; (6)ACD/BCF (pH 7.4): 232.17; (7)ACD/KOC (pH 5.5): 1718.1; (8)ACD/KOC (pH 7.4): 1718.1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 69.52 cm³; (15)Molar Volume: 221.7 cm³; (16)Polarizability: 27.56×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 181.8 °C; (20)Enthalpy of Vaporization: 62.46 kJ/mol; (21)Boiling Point: 376.9 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCCN(CCCl)C(=O)OCc1ccccc1
2.InChI: InChI=1/C12H15Cl2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
3.InChIKey: OBBMVFKOKGRDGS-UHFFFAOYAJ