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Tricyclo[3.3.1.13,7]Decane-1-Methanamine
CAS: 17768-41-1 | C11H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17768-41-1
Molecular Formula:
C11H19N
Molecular Mass:
165.28 g/mol
Names and Synonyms:
Tricyclo[3.3.1.13,7]Decane-1-Methanamine
Tricyclo[3.3.1.13,7]decane-1-methanamine
1-Adamantanemethylamine
1-(Aminomethyl)adamantane
1-Adamantylmethylamine
1-Adamantylmethanamine
MRZ 2/16
IEM 1618
NSC 285231
[(Adamantan-1-yl)methyl]amine
1-(1-Adamantyl)methanamine
Adamantylmethylamine
(Adamantan-1-yl)methanamine
Adamantylmethyleneamine
Identifiers:
SMILES:
NCC12CC3CC(CC(C3)C1)C2
InChI:
InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2
Key Properties
Boiling Point
83-85 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.28 g/mol | CAS Common Chemistry |
| 165.27999999999994 g/mol | RDKit | |
| 165.151749608 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.933 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 83-85 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | NCC12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XSOHXMFFSKTSIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tricyclo[3.3.1.13,7]decane-1-methanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.1615 | RDKit |
| Molar Refractivity | 49.65940000000004 | RDKit |
