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(+)-Bornylamine
CAS: 32511-34-5 | C10H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32511-34-5
Molecular Formula:
C10H19N
Molecular Mass:
153.27 g/mol
Names and Synonyms:
(+)-Bornylamine
Bicyclo[2.2.1]heptan-2-amine, 1,7,7-trimethyl-, (1R,2S,4R)-
2-Bornanamine, endo-(+)-
Bicyclo[2.2.1]heptan-2-amine, 1,7,7-trimethyl-, (1R-endo)-
(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine
D-Bornylamine
(+)-Bornylamine
(1R-endo)-Bornylamine
(1R,2S,4R)-Bornylamine
(R)-(+)-Bornylamine
(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine
Identifiers:
SMILES:
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N)C2
InChI:
InChI=1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1
Key Properties
Melting Point
159 °C
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 | 153.27 g/mol | CAS Common Chemistry |
| 153.26899999999998 g/mol | RDKit | |
| 153.151749608 g/mol | RDKit | |
| Canonical SMILES | NC1CC2CCC1(C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MDFWXZBEVCOVIO-WEDXCCLWSA-N | CAS Common Chemistry |
| Melting Point | 159 °C | CAS Common Chemistry |
| Name | (+)-Bornylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.1599000000000004 | RDKit |
| Molar Refractivity | 47.20440000000002 | RDKit |
