CAS No.67799-04-6,N-[3-(dimethylamino)propyl]isooctadecan-1-amide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67799-04-6
Name:	N-[3-(dimethylamino)propyl]isooctadecan-1-amide

Formula:	C₂₃H₄₈N₂O
Molecular Weight:	368.64
Synonyms:	3-Isostearamidopropyldimethylamine;Dimethylaminopropylisostearamide;Isostearamidopropyl dimethylamine;N-[3-(Dimethylamino)propyl]-16-methylheptadecanamide;
EINECS:	267-101-1
Density:	0.874 g/cm³
Boiling Point:	493 °C at 760 mmHg
Flash Point:	252 °C
PSA:	35.83000
LogP:	7.01200

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Specification

The CAS registry number of Isooctadecanamide,N-[3-(dimethylamino)propyl]- is 67799-04-6. Its EINECS registry number is 267-101-1. The systematic name is N-[3-(dimethylamino)propyl]-16-methylheptadecanamide. In addition, the molecular formula is C₂₃H₄₈N₂O and the molecular weight is 368.64. It should be stored in a cool and dry place.

Physical properties about Isooctadecanamide,N-[3-(dimethylamino)propyl]- are: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 375.5; (6)ACD/BCF (pH 7.4): 6294.46; (7)ACD/KOC (pH 5.5): 340.14; (8)ACD/KOC (pH 7.4): 5701.69; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 115.9 cm³; (15)Molar Volume: 421.7 cm³; (16)Polarizability: 45.95 ×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.874 g/cm³; (19)Flash Point: 252 °C; (20)Enthalpy of Vaporization: 76.01 kJ/mol; (21)Boiling Point: 493 °C at 760 mmHg; (22)Vapour Pressure: 7.29E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCN(C)C)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C23H48N2O/c1-22(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23(26)24-20-17-21-25(3)4/h22H,5-21H2,1-4H3,(H,24,26)
(3)InChIKey: NZXVYLJKFYSEPO-UHFFFAOYAT