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17517-01-0

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Basic Information
CAS No.: 17517-01-0
Name: N,N-dimethyl-3-(octadecyloxy)propylamine
Article Data: 2
Molecular Structure:
Molecular Structure of 17517-01-0 (N,N-dimethyl-3-(octadecyloxy)propylamine)
Formula: C23H49NO
Molecular Weight: 355.648
Synonyms: N,N-Dimethyl-3-(octadecyloxy)propylamine;N,N-Dimethyl-3-(octadecyloxy)propan-1-amine;
EINECS: 241-516-8
Density: 0.843 g/cm3
Boiling Point: 428.4 °C at 760 mmHg
Flash Point: 125.5 °C
PSA: 12.47000
LogP: 7.21620
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Specification

The 1-Propanamine,N,N-dimethyl-3-(octadecyloxy)-, with the CAS registry number 17517-01-0, is also known as N,N-Dimethyl-3-(octadecyloxy)propylamine. Its EINECS number is 241-516-8. The molecular formula of this chemical is C23H49NO and molecular weight is 355.64. What's more, its systematic name is N,N-Dimethyl-3-(octadecyloxy)propan-1-amine. 

Physical properties of 1-Propanamine,N,N-dimethyl-3-(octadecyloxy)- are: (1)ACD/LogP: 9.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.28; (4)ACD/LogD (pH 7.4): 7.33; (5)ACD/BCF (pH 5.5): 6548; (6)ACD/BCF (pH 7.4): 73177.57; (7)ACD/KOC (pH 5.5): 2567.06; (8)ACD/KOC (pH 7.4): 28688.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 114.07 cm3; (15)Molar Volume: 421.8 cm3; (16)Polarizability: 45.22×10-24 cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.843 g/cm3; (19)Flash Point: 125.5 °C; (20)Enthalpy of Vaporization: 68.36 kJ/mol; (21)Boiling Point: 428.4 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCCN(C)C
(2)InChI: InChI=1S/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(2)3/h4-23H2,1-3H3
(3)InChIKey: BHQZSXXOSYWJSZ-UHFFFAOYSA-N