DICL_CP_0307973 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307973

PubChem CID

7618

Molecular Formula

C₆H₁₅NO₃

Molecular Weight

149.19 g/mol

Synonyms/Alias

[TRIETHANOLAMINE; Trolamine; 102-71-6; 2;2;2-Nitrilotriethanol; Sterolamide; Tris(2-hydroxyethyl)amine; Daltogen; Nitrilotriethanol; Triethylolamine; Trihydroxytriethylamine; Thiofaco T-35; Triethanol...[TRIETHANOLAMINE; Trolamine; 102-71-6; 2;2;2-Nitrilotriethanol; Sterolamide; Tris(2-hydroxyethyl)amine; Daltogen; Nitrilotriethanol; Triethylolamine; Trihydroxytriethylamine; Thiofaco T-35; Triethanolamin; Sting-Kill; Ethanol; 2;2;2-nitrilotris-; Tri(hydroxyethyl)amine; Tris(beta-hydroxyethyl)amine; Nitrilo-2;2;2-triethanol; Sodium ISA; Teoa; TEA (amino alcohol); 2;2;2-Nitrilotris(ethanol); Nitrilotris(ethanol); 2-[bis(2-hydroxyethyl)amino]ethanol; Tris(hydroxyethyl)amine; Triethanolamin-NG; H3tea; Triaethanolamin-NG; Trolamine [INN]; 2;2;2-Nitrilotriethanol; N(CH2CH2OH)3; 2;2;2-Nitrilotrisethanol; Trola; 2;2;2-Trihydroxytriethylamine; Trihydroxyethylamine; Trolamine (NF); Trolamine [NF]; MFCD00002855; NSC 36718; Mobisy (TN); Triethylamine; 2;2;2-trihydroxy-; Ethanol; 2;2;2-nitrilotri-; NSC-36718; NCIOpen2_004601; 2;2\;2-Nitrilotriethanol; 9O3K93S3TK; 2;2;2-Nitrilotris(ethanol); DTXSID9021392; CHEBI:28621; 2;2;2-Nitrilotris[ethanol]; 64114-46-1; NCGC00159411-02; DTXCID201392; Caswell No. 886; Biafine; Tris(2-Hydroxyethyl) Amine; CAS-102-71-6; CCRIS 606; HSDB 893; EINECS 203-049-8; EPA Pesticide Chemical Code 004208; UNII-9O3K93S3TK; 2;2;2-Nitrilotriethanol; Cerumenex; Alkano; Mobisy; AI3-01140; Ethanol; 2;2;2-nitrilotris-; Mobisyl (Salt/Mix); Triethanolamine; USP; TRIETHANOL AMINE; 2-[bis(2-hydroxyethyl)amino]ethan-1-ol; T-35; TROLAMINE [II]; TROLAMINE [HSDB]; Tris(b-hydroxyethyl)amine; TROLAMINE [VANDF]; 2;2-Nitrilotriethanol; 2;2;2-Nitrilotriethanol; bmse000379; TROLAMINE [MART.]; EC 203-049-8; Nitrilo-2;2-triethanol; SCHEMBL1146; TROLAMINE [WHO-DD]; TRIETHANOLAMINE [MI]; Oprea1_614203; tris-(2-hydroxyethyl)-amine; WLN: Q2N2Q2Q; tris(beta -hydroxyethyl)amine; 2;2-Nitrilotris[ethanol]; BIDD:ER0261; TRIETHANOLAMINE [IARC]; Ethanol;2;2-nitrilotri-; TRIETHANOLAMINE [VANDF]; Tris(.beta.-hydroxyethyl)amine; CHEMBL446061; Ethanol;2;2-nitrilotris-; Triethanolamine; LR; >=99%; 2;2;2-Nitrilotris-Ethanol; 2;22-Nitrilotris-Ethanol; TROLAMINE [EP IMPURITY]; 2;2; 2-Nitrilotriethanol; 2;2;2Quot -Nitrilotriethanol; TROLAMINE [EP MONOGRAPH]; 2;2;2-Nitrilotri-Ethanol; 2;2;2-Nitrilotris-Ethanol; Nitrilo-2;2;2quot -triethanol; Triethanolamine; p.a.; 99.0%; Triethanolamine; AR; >=99.5%; Triethylamine;2;2-trihydroxy-; HY-B1809; NSC36718; Tox21_113166; Tox21_202062; Tox21_300527; Triethanolamine; >=99.0% (GC); 2;2;2-Trihydroxy-Triethylamine; STL264185; Triethanolamine; reagent grade; 98%; AKOS000119997; CS-5859; DB13747; SMP2_000190; NCGC00159411-03; NCGC00159411-04; NCGC00159411-05; NCGC00159411-06; NCGC00254460-01; NCGC00259611-01; BP-21029; LS-13235; Triethanolamine; USP; 99.0-107.4%; NS00006192; Triethanolamine; BioUltra; >=99.5% (GC); Triethanolamine; analytical reference material; Triethanolamine; SAJ first grade; >=98.0%; C06771; D00215; Triethanolamine; JIS special grade; >=98.0%; Triethanolamine; puriss. p.a.; >=99% (GC); Triethanolamine; Vetec(TM) reagent grade; 97%; Q424314; SR-01000944572; J-525067; SR-01000944572-1; B886EF22-ACA3-4597-9C73-A087E02F54A7; Trolamine; European Pharmacopoeia (EP) Reference Standard; Trolamine; United States Pharmacopeia (USP) Reference Standard; InChI=1/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H;1-6H; Triethanolamine; puriss.; meets analytical specification of NF; >=99% (GC); Trolamine; Pharmaceutical Secondary Standard; Certified Reference Material]

InChI Key

GSEJCLTVZPLZKY-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

IUPAC Name

2-[bis(2-hydroxyethyl)amino]ethanol

CAS Number

102-71-6

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

25 24 0 0 0 0 0 0 0 0999 V2000
-0.5569 -0.9286 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9668 -1.5516 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7060 -2.722...

Download SDF File (2139 bytes)

Experimental Data

Activity Data

Target Ion Channel

Aquaporin-4

Uniprot Accession Number

P47863

Function

Blocker

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: 9800 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.6

Holding Potential

Not specified

Temperature

Room Temperature

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Transmembrane domain

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1074/jbc.M513072200

URL

N/A (Not available)

PMID

16551622

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-1.7347

Complexity

37.6974

TPSA (Å²)

63.93

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties