2-Propanol,1-[bis(2-hydroxyethyl)amino]- supplier

Name
N,N-BIS(2-HYDROXYETHYL)ISOPROPANOLAMINE
EINECS 229-764-5
CAS No. 6712-98-7
Article Data7
CAS DataBase
Density 1.131 g/cm³
Solubility
Melting Point 31.5-36 °C(lit.)
Formula C₇H₁₇NO₃
Boiling Point 331.2 °C at 760 mmHg
Molecular Weight 163.217
Flash Point 176.8 °C
Transport Information
Appearance Clear colorless to slightly yellow liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 63.93000
LogP -1.34620

2-Propanol,1-[bis(2-hydroxyethyl)amino]- Specification

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^-24cm³; (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%.

2-Propanol,1-[bis(2-hydroxyethyl)amino]- 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

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

Product Name

N,N-BIS(2-HYDROXYETHYL)ISOPROPANOLAMINE

2-Propanol,1-[bis(2-hydroxyethyl)amino]- Specification

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