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CAS No.: | 6712-98-7 |
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Name: | N,N-BIS(2-HYDROXYETHYL)ISOPROPANOLAMINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H17NO3 |
Molecular Weight: | 163.217 |
Synonyms: | 1-[N,N-Bis(2-hydroxyethyl)amino]-2-propanol;Ethanol, 2,2'-[(2-hydroxypropyl)imino]bis-;N,N-Bis(2-hydroxyethyl)-2-propanolamine;N-(2-Hydroxypropyl)diethanolamine;NSC 30493;1-(N,N-Bis(2-hydroxyethyl)amino)-2-propanol; |
EINECS: | 229-764-5 |
Density: | 1.131 g/cm3 |
Melting Point: | 31.5-36 °C(lit.) |
Boiling Point: | 331.2 °C at 760 mmHg |
Flash Point: | 176.8 °C |
Appearance: | Clear colorless to slightly yellow liquid |
Safety: | 24/25 |
PSA: | 63.93000 |
LogP: | -1.34620 |
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The 2-Propanol,1-[bis(2-hydroxyethyl)amino]-, with the CAS registry number 6712-98-7, is also known as 1-(N,N-Bis(2-hydroxyethyl)amino)-2-propanol. Its EINECS number is 229-764-5. This chemical's molecular formula is C7H17NO3 and molecular weight is 163.21. What's more, its systematic name is 1-[Bis(2-hydroxyethyl)amino]propan-2-ol. Its classification codes are TSCA Flag P; TSCA Flag S. When using it, you need avoid contact with skin and eyes.
Physical properties of 2-Propanol,1-[bis(2-hydroxyethyl)amino]- are: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.23; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.57; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 42.76 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 16.95×10-24 cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 66.49 kJ/mol; (21)Boiling Point: 331.2 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.
Uses of 2-Propanol,1-[bis(2-hydroxyethyl)amino]-: it can be used to produce 3-methyl-1-(3,3,3-trifluoro-propyl)-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane by heating. It will need reagents NaOC2H5 and ethanol. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CN(CCO)CCO)O
(2)InChI: InChI=1S/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3
(3)InChIKey: ZFECCYLNALETDE-UHFFFAOYSA-N