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67874-03-7
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Basic Information
CAS No.: 67874-03-7
Name: ethyl hydrogen sulfate - N-ethyloctadecan-1-amine (1:1)
Molecular Structure:
Molecular Structure of 67874-03-7 (ethyl hydrogen sulfate - N-ethyloctadecan-1-amine (1:1))
Formula: C22H49NO4S
Molecular Weight: 423.69
Synonyms: N-ethyloctadecan-1-amine; sulfooxyethane;
Boiling Point: 366 °C at 760 mmHg
Flash Point: 163.5 °C
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Specification

This chemical is called Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1), and its systematic name is Ethyl hydrogen sulfate - N-ethyloctadecan-1-amine (1:1). With the molecular formula of C22H49NO4S, its molecular weight is 423.69. The CAS registry number of the chemical is 67874-03-7. 

Other characteristics of Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) can be summarised as followings: (1)ACD/LogP: 9.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.04; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 4117.65; (6)ACD/BCF (pH 7.4): 6256.06; (7)ACD/KOC (pH 5.5): 1773.08; (8)ACD/KOC (pH 7.4): 2693.88; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 3.24 Å2 ; (13)Flash Point: 163.5 °C; (14)Enthalpy of Vaporization: 61.24 kJ/mol; (15)Boiling Point: 366 °C at 760 mmHg; (16)Vapour Pressure: 1.5E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(O)OCC.N(CCCCCCCCCCCCCCCCCC)CC
2.InChI: InChI=1/C20H43N.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2;1-2-6-7(3,4)5/h21H,3-20H2,1-2H3;2H2,1H3,(H,3,4,5)
3.InChIKey: JDQALEDUBAOUSU-UHFFFAOYAA
4.Std. InChI: InChI=1S/C20H43N.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2;1-2-6-7(3,4)5/h21H,3-20H2,1-2H3;2H2,1H3,(H,3,4,5)
5.Std. InChIKey: JDQALEDUBAOUSU-UHFFFAOYSA-N