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Ethanol, 2-amino-, 1,1',1''-triester with boric acid (H3BO3)

HCID 9243
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Basic information

CAS
6162-38-5
Standard SMILES
NCCOB(OCCN)OCCN
InChIKey
LIFLTRKTCZIBEB-UHFFFAOYSA-N
Molecular formula
C6H18BN3O3
Average molar mass
191.04 g/mol
Monoisotopic mass
191.1441216

Names & identifiers

Preferred name
Ethanol, 2-amino-, 1,1',1''-triester with boric acid (H3BO3)
IUPAC
tris(2-aminoethyl) borate
English name
Tris(2-aminoethoxy)borane
Molecular formula
C6H18BN3O3
Molecular weight
191.04

Names & synonyms

BORANE, TRIS(2-AMINOETHYL)-6162-38-5DTXSID10210638RefChem:1084474DTXCID40133129Ethanol, 2-amino-, 1,1',1''-triester with boric acid (H3BO3)tris(2-aminoethyl) borateTris(2-aminoethyl)borateBRN 1762110Ethanol, 2-amino-, triester with boric acid (H3BO3)AI3-61153trisaminoethyl borate
Show more names
Tris(2-aminoethoxy)borane
3-04-00-00646 (Beilstein Handbook Reference)SCHEMBL717083

Database identifiers

CAS
6162-38-5
PubChem CID
9243
DTXSID
DTXSID10210638
Nikkaji
J42.057C

Properties

Computed structural properties

Topological polar surface area
106 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
13
Formal charge
0
Complexity
90.1

Physicochemical properties

Melting point
95 · 95-98 °C
Boiling point
92 °C · 92 °C(Press: 0.05 Torr)
Density
1.063 · 1.063±0.06 g/cm3(Predicted)
pka
8.88 · 8.88±0.10(Predicted)

Related reactions

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Compound notes

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