Cas no 80121-61-5 (3-Propyladamantan-1-amine)
3-Propyladamantan-1-amine structure
Product Name:3-Propyladamantan-1-amine
CAS No:80121-61-5
MF:C13H23N
MW:193.32842373848
CID:2705710
PubChem ID:3936236
Update Time:2025-04-21
3-Propyladamantan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- NCGC00330539-01
- 1-AMINOADAMANTANE,3-PROPYL
- Tricyclo[3.3.1.1~3,7~]decan-1-amine, 3-propyl-
- Oprea1_052637
- SCHEMBL6003288
- DTXSID00874501
- 3-propyladamantan-1-amine
- IFLab1_001212
- IDI1_009079
- AB01324674-02
- AKOS001600225
- 80121-61-5
- CHEMBL346660
- AKOS021984373
- 3-Propyladamantan-1-amine
-
- Inchi： 1S/C13H23N/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11H,2-9,14H2,1H3
- InChI Key： COHBMLHLXRNIBJ-UHFFFAOYSA-N
- SMILES： NC12CC3CC(C1)CC(CCC)(C3)C2
Computed Properties
- Exact Mass: 193.183049738Da
- Monoisotopic Mass: 193.183049738Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 3.8
- Topological Polar Surface Area: 26?2
3-Propyladamantan-1-amine Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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