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2160-93-2

Basic Information
CAS No.: 2160-93-2
Name: N-TERT-BUTYLDIETHANOLAMINE
Molecular Structure:
Molecular Structure of 2160-93-2 (N-TERT-BUTYLDIETHANOLAMINE)
Formula: C8H19NO2
Molecular Weight: 161.244
Synonyms: Ethanol,2,2'-(tert-butylimino)di- (6CI,7CI,8CI);2,2'-(tert-Butylimino)diethanol;3-tert-Butyl-3-aza-1,5-pentanediol;Amino Alcohol BDEA;N,N-Bis(2-hydroxyethyl)-tert-butylamine;N-tert-Butyl-2,2'-iminodiethanol;N-tert-Butyl-di(2-hydroxyethyl)amine;N-tert-Butylbis(2-hydroxyethyl)amine;N-tert-Butyldiethanolamine;N-tert-Butyliminodiethanol;NSC 525736;tert-Butylbis(2-hydroxyethyl)amine;tert-Butyldiethanolamine;
EINECS: 218-480-7
Density: 0.989g/cm3
Melting Point: 40-45 °C(lit.)
Boiling Point: 265.3 °C at 760 mmHg
Flash Point: 118 °C
Solubility: Completely soluble in water
Hazard Symbols: IrritantXi; CorrosiveC
Risk Codes: 36/38-34
Safety: 26-45-36/37/39
PSA: 43.70000
LogP: 0.07150
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    2160-93-2

    N-TERT-BUTYLDIETHANOLAMINE

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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  • 2,2'-[(1,1-dimethylethyl)imino]bisethanol

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    2160-93-2

    2,2'-[(1,1-dimethylethyl)imino]bisethanol

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    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

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  • 2-[tert-butyl(2-hydroxyethyl)amino]ethanol

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    2160-93-2

    2-[tert-butyl(2-hydroxyethyl)amino]ethanol

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    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

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  • N-tert-Butyldiethanolamine

  • Casno:

    2160-93-2

    N-tert-Butyldiethanolamine

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    Jay Chemicals was established in 1988 by a group of technocrats from the prestigious Indian Institute of Technology (IIT), Mumbai, to manufacture quality Fine Organic Intermediate

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Specification

The Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-, with CAS registry number 2160-93-2, has the systematic name of 2,2'-(tert-butylimino)diethanol. Besides this, it is also called N-Tert-butyldiethanolamine. And the chemical formula of this chemical is C8H19NO2. What's more, its EINECS is 218-480-7.

Physical properties of Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -0.9; (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): 1.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 45.86 cm3; (15)Molar Volume: 162.9 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 58.44 kJ/mol; (21)Boiling Point: 265.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.

Uses of Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-: it can be used to produce N,N-bis[2-(6-t-butyl-1,3,6,2-dioxazaphosphocan-2-yloxy)ethyl]-t-butylamine. This reaction will need reagent hexamethylphosphorus triamide and solvent benzene. The reaction will need reagent 3 hour(s). The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
The Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(C(C)(C)C)CCO
(2)InChI: InChI=1/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
(3)InChIKey: XHJGXOOOMKCJPP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
(5)Std. InChIKey: XHJGXOOOMKCJPP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 6144mg/kg (6144mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

MUSCULOSKELETAL: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996.
rat LD50 oral 2717mg/kg (2717mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996.