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1,3,5-TRIAZATRICYCLO[3.3.1.1(3,7)]DECAN-7-AMINE
1. Namen und Bezeichner
- 1.1 Produktname
- 1,3,5-TRIAZATRICYCLO[3.3.1.1(3,7)]DECAN-7-AMINE
- 1.2 Synonyme
- 1,3,5-TRIAZATRICYCLO[3.3.1.1(3,7)]DECAN-7-AMINE;TIMTEC-BB SBB001590;1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine(SALTDATA: FREE);7-Amino-1,3,5-triazaadamantane
- 1.3 CAS No.
- 14707-75-6
- 1.4 CID
- 535684
- 1.5 Summenformel
- C7H14N4
- 1.6 Inchi
- InChI=1S/C7H14N4/c8-7-1-9-4-10(2-7)6-11(3-7)5-9/h1-6,8H2
- 1.7 InchiKey
- WXMJWQSOWLXJOA-UHFFFAOYSA-N
- 1.8 Kanonisch SMILES
- C1C2(CN3CN1CN(C2)C3)N
- 1.9 Isomere SMILES
- C1C2(CN3CN1CN(C2)C3)N
2. Eigenschaften
- 2.1 pKa
- 8.25±0.20(Predicted)
3. Sicherheit
- 3.1 Gefahrencodes
- Xi
- 3.2 Sicherheit und Gefahren
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| Gefahrencodes |
Xi |
| Speicherklasse |
REIZEND |
4. Computerchemische Daten
- Molecular Weight：154.21g/mol
- Molecular Formula：C7H14N4
- Compound Is Canonicalized：True
- Exact Mass：-1.1
- XLogP3-AA：154.121846464
- Monoisotopic Mass：154.121846464
- Complexity：150
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：1
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：35.7
- Heavy Atom Count：：11
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBjgAAAAAAAAAAAAAAAAAAAAAAAAAAsWLFgAAAAAAAAAAAAHAAQAAAADIjBAAQBAANAAAAAAAAAAAAAAAAAAAAAAAAIAACAQAAAQAAUAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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Tel:
Update Time:2019/11/25
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Tel:
Update Time:2019/11/25
6. Realisierte Produktinformationen
DE![1,3,5-TRIAZATRICYCLO[3.3.1.1(3,7)]DECAN-7-AMINE structure](https://structimg.guidechem.com/5/29/3089068.png)
