Cas no 166171-16-0 (3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI))
![3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI) structure](https://ossimg.kuujia.com/scimg/166500/166171-16-0x500.png)
166171-16-0 structure
Product Name:3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI)
CAS No:166171-16-0
MF:C8H17N3
MW:155.240681409836
CID:904920
PubChem ID:45099414
Update Time:2025-04-19
3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI)
- ENDO-9-METHYL-3,9-DIAZABICYCLO[3.3.1]NONAN-7-AMINE
- 166171-16-0
- 9-Methyl-3,9-diazabicyclo[3.3.1]nonan-7-amine
-
- Inchi： 1S/C8H17N3/c1-11-7-2-6(9)3-8(11)5-10-4-7/h6-8,10H,2-5,9H2,1H3
- InChI Key： LZXLQRDMXYCOAE-UHFFFAOYSA-N
- SMILES： N1(C)C2CNCC1CC(C2)N
Computed Properties
- Exact Mass: 155.14200
- Monoisotopic Mass: 155.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 47
- Rotatable Bond Count: 16
- Complexity: 959
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 2.8
- Topological Polar Surface Area: 41.3A^2
Experimental Properties
- PSA: 41.29000
- LogP: 0.34670
3,9-Diazabicyclo[3.3.1]nonan-7-amine,9-methyl-,endo-(9CI) Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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