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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 Weight:
153.26899999999998 g/mol
Names and Synonyms:
(+)-Bornylamine
(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine
(R)-(+)-Bornylamine
(1R,2S,4R)-Bornylamine
(1R-endo)-Bornylamine
(+)-Bornylamine
D-Bornylamine
(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine
Bicyclo[2.2.1]heptan-2-amine, 1,7,7-trimethyl-, (1R-endo)-
2-Bornanamine, endo-(+)-
Bicyclo[2.2.1]heptan-2-amine, 1,7,7-trimethyl-, (1R,2S,4R)-
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
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.27 g/mol | Legacy Database |
| cas-canonical-smile | NC1CC2CCC1(C)C2(C)C | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=MDFWXZBEVCOVIO-WEDXCCLWSA-N | Legacy Database | |
| cas-melting-point | 159 °C | Legacy Database | |
| cas-name | (+)-Bornylamine | Legacy Database | |
| LogP | 2.1599000000000004 | RDKit | |
| Molecular | Molecular Weight | 153.26899999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.151749608 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 26.02 Ų | RDKit |
| Molar | Molar Refractivity | 47.20440000000002 | RDKit |
