CAS No.79448-06-9,4-(4-hydroxybutylamino)butan-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79448-06-9
Name:	4-(4-hydroxybutylamino)butan-1-ol

Formula:	C₈H₁₉NO₂
Molecular Weight:	161.244
Synonyms:	1-Butanol,4,4'-iminodi- (7CI);Dibutanolamine;N,N-Bis(4-hydroxybutyl)amine;
Density:	0.981 g/cm³
Melting Point:	16-17℃
Boiling Point:	289.179 °C at 760 mmHg
Flash Point:	114.135 °C
PSA:	52.49000
LogP:	0.51190

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Specification

The 1-Butanol,4,4'-iminobis-, with the CAS registry number 79448-06-9, is also known as 4,4'-Iminodi(1-butanol). This chemical's molecular formula is C₈H₁₉NO₂ and molecular weight is 161.14. What's more, its IUPAC name is called 4-(4-Hydroxybutylamino)butan-1-ol.

Physical properties about 1-Butanol,4,4'-iminobis- are: (1)ACD/LogP: -0.505; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.60; (4)ACD/LogD (pH 7.4): -3.30; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.49 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 45.777 cm³; (15)Molar Volume: 164.417 cm³; (16)Polarizability: 18.147×10^-24cm³; (17)Surface Tension: 39.371 dyne/cm; (18)Density: 0.981 g/cm³; (19)Flash Point: 114.135 °C; (20)Enthalpy of Vaporization: 61.322 kJ/mol; (21)Boiling Point: 289.179 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCCCNCCCCO
(2) InChI: InChI=1S/C8H19NO2/c10-7-3-1-5-9-6-2-4-8-11/h9-11H,1-8H2
(3) InChIKey: FTGIHCSSXPBYMX-UHFFFAOYSA-N