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Α-Cyclopropylcyclopropanemethanamine
CAS: 13375-29-6 | C7H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13375-29-6
Molecular Formula:
C7H13N
Molecular Weight:
111.188 g/mol
Names and Synonyms:
Α-Cyclopropylcyclopropanemethanamine
Cyclopropanemethanamine, α-cyclopropyl-
Methylamine, 1,1-dicyclopropyl-
α-Cyclopropylcyclopropanemethanamine
Dicyclopropylmethylamine
1,1-Dicyclopropylmethanamine
Dicyclopropylmethanamine
Identifiers:
SMILES:
NC(C1CC1)C1CC1
InChI:
InChI=1S/C7H13N/c8-7(5-1-2-5)6-3-4-6/h5-7H,1-4,8H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 111.188 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.10479941599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1337 | RDKit |
| molecular_mass | 111.19 g/mol | Legacy Database |
| cas-boiling-point | 55-65 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | NC(C1CC1)C2CC2 None | Legacy Database |
| cas-inchi | InChI=1S/C7H13N/c8-7(5-1-2-5)6-3-4-6/h5-7H,1-4,8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GDGUATCKWWKTLM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | α-Cyclopropylcyclopropanemethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.423399999999994 | RDKit |
