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Hexahydro-1,3,5-Tris(2-Hydroxyethyl)-S-Triazine
CAS: 4719-04-4 | C9H21N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4719-04-4
Molecular Formula:
C9H21N3O3
Molecular Mass:
219.29 g/mol
Names and Synonyms:
Hexahydro-1,3,5-Tris(2-Hydroxyethyl)-S-Triazine
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol
s-Triazine-1,3,5(2H,4H,6H)-triethanol
1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine
Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine
N,N′,N′′-Tris(2-hydroxyethyl)hexahydro-s-triazine
1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine
Grotan BK
Onyxide 200
Grotan B
Kalpur TE
Hexahydro-1,3,5-tri(2-hydroxyethyl)-s-triazine
KM 200 (alcohol)
Actane
KM 200
Roksol T 1-7
Busan 1060
ETA 75
Triadine 3
N,N′,N′′-Tris(β-hydroxyethyl)hexahydro-s-triazine
Busan 1506
Bactraclean
Acticide GR
Surcide D
Surcide P
NSC 516387
Cobate C
Permachem OB 2
1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
Protectol HT
Nipacide BK
Bioban GK
Triadine 174
Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
Dodigen NJ
Bestcide 1087T
Mergal 165
BK
Hydroxyethyl hexahydrotriazine
Amebact C
2-[3,5-Bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
Identifiers:
SMILES:
OCCN1CN(CCO)CN(CCO)C1
InChI:
InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.29 g/mol | CAS Common Chemistry |
| 219.28499999999997 g/mol | RDKit | |
| 219.158291532 g/mol | RDKit | |
| Canonical SMILES | OCCN1CN(CN(C1)CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HUHGPYXAVBJSJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.41 Ų | RDKit |
| LogP | -2.2445999999999975 | RDKit |
| Molar Refractivity | 55.97640000000005 | RDKit |
