Cas no 80904-85-4 (3-butyladamantan-1-amine)
3-butyladamantan-1-amine structure
Product Name:3-butyladamantan-1-amine
CAS No:80904-85-4
MF:C14H25N
MW:207.355004072189
CID:986206
PubChem ID:157778
Update Time:2025-04-20
3-butyladamantan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- 3-butyladamantan-1-amine
- Tricyclo(3.3.1.13,7)decan-1-amine, 3-butyl-
- DTXSID001001631
- SCHEMBL657942
- 80904-85-4
-
- Inchi： 1S/C14H25N/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12H,2-10,15H2,1H3
- InChI Key： KUNFZDMYUIQERL-UHFFFAOYSA-N
- SMILES： NC12CC3CC(C1)CC(CCCC)(C3)C2
Computed Properties
- Exact Mass: 207.198699802g/mol
- Monoisotopic Mass: 207.198699802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 26?2
3-butyladamantan-1-amine Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
80904-85-4 (3-butyladamantan-1-amine) Related Products
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