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| CAS No.: | 190849-64-0 |
|---|---|
| Name: | (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate |
| Molecular Structure: | |
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| Formula: | C17H24N5O.PF6 |
| Molecular Weight: | 459.37 |
| Synonyms: | O-(BENZOTRIAZOL-1-YL)-N,N,N',N'-BIS(PENTAMETHYLENE)URONIUM HEXAFLUOROPHOSPHATE; O-(Benzotriazol-1-yl)-N,N,N',N'-bis(pentamethylene; HBPipU (Benzotriazol-1-yloxy)dipiperidinocarbeniuM hexafluorophosp; HBPIPU (BENZOTRIAZOL-1-YLOXY)DIPIPERIDINOCARBENIUM HEXAFLUOROPHOSPHATE; O-(Benzotriazol-1-Yloxy)Dipiperidinocarbeniumhexafluorophosphate; (Benzotriazol-1-yloxy)dipiperidinocarbenium HexafluorophosphateHBPipU; (Benzotriazol-1-yloxy)dipiperidinocarbeniumhexafluorophosphate; HBPIPU; O-(Benzotriazol-1-yl)-N,N,N',N'-bis(pentamethylene)uronium Hexafluorophosphate; 查看更多英文别名 收起 |
| Melting Point: | 206 °C (dec.) |
| Hazard Symbols: |
 Xn Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 60.01000 |
| LogP: | 5.53690 |
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Specification
The (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate with the CAS number 190849-64-0 is also called HBPipU. The IUPAC name is 1-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole hexafluorophosphate. Its molecular formula is C17H24N5O.PF6. This chemical should be stored at 2-8°C.
Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 3; (4)Exact Mass: 459.162266; (5)MonoIsotopic Mass: 459.162266; (6)Topological Polar Surface Area: 46.2; (7)Heavy Atom Count: 30; (8)Formal Charge: 0; (9)Complexity: 466; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)C(=[N+]2CCCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
(2)InChI: InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-
10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
(3)InChIKey: YNOBMGHLCWIWCL-UHFFFAOYSA-N