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Molecule
1,6-Hexanediamine, N1,N6-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl)-, Polymer With 2,4,6-Trichloro-1,3,5-Triazine, Reaction Products With 2,4,4-Trimethyl-2-Pentanamine
CAS: 70624-18-9 · C35H69Cl3N8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70624-18-9
- Molecular Formula
- C35H69Cl3N8
- Molecular Mass
- 708.35 g/mol
Identifiers
CAS Registry Number
70624-18-9
SMILES
CC(C)(C)CC(C)(C)N.CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.Clc1nc(Cl)nc(Cl)n1
InChI Key
ORECYURYFJYPKY-UHFFFAOYSA-N
InChI
InChI=1S/C24H50N4.C8H19N.C3Cl3N3/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20;1-7(2,3)6-8(4,5)9;4-1-7-2(5)9-3(6)8-1/h19-20,25-28H,9-18H2,1-8H3;6,9H2,1-5H3;
Names and Synonyms
- 1,6-Hexanediamine, N1,N6-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl)-, Polymer With 2,4,6-Trichloro-1,3,5-Triazine, Reaction Products With 2,4,4-Trimethyl-2-Pentanamine Systematic Name
- 1,6-Hexanediamine, N1,N6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with 2,4,4-trimethyl-2-pentanamine Synonym
- 1,6-Hexanediamine, N,N′-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with 2,4,4-trimethyl-2-pentanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 708.35 g/mol | CAS Common Chemistry |
| 708.3520000000001 g/mol | RDKit | |
| 708.352 g/mol | RDKit | |
| 708.343 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1N=C(Cl)N=C(Cl)N1.NC(C)(C)CC(C)(C)C.N(CCCCCCNC1CC(NC(C)(C)C1)(C)C)C2CC(NC(C)(C)C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H50N4.C8H19N.C3Cl3N3/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20;1-7(2,3)6-8(4,5)9;4-1-7-2(5)9-3(6)8-1/h19-20,25-28H,9-18H2,1-8H3;6,9H2,1-5H3; | CAS Common Chemistry |
| InChI Key | InChIKey=ORECYURYFJYPKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,6-Hexanediamine, N1,N6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with 2,4,4-trimethyl-2-pentanamine | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 112.81 Ų | RDKit |
| 111.22 Ų | chempirical lib | |
| LogP | 8.336100000000009 | RDKit |
| 8.3361 | RDKit | |
| Molar Refractivity | 200.3001999999993 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9143 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 706.4710772480001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 708.35 g/mol. Edit any field — others recompute live.
