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Pentylenetetrazole
CAS: 54-95-5 | C6H10N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54-95-5
Molecular Formula:
C6H10N4
Molecular Weight:
138.174 g/mol
Names and Synonyms:
Pentylenetetrazole
Pentavet
NSC 66489
NSC 5729
Coranormal
Pentrozol
Corisan
Yetrazol
Cardiol
Pentazol
Angiazol
Tetrazol
Leptazole
Korazol
Corsedrol
Korazole
Corvasol
Cenalene M
α,β-Cyclopentamethylenetetrazole
Tetrazole, (1,5-pentanediyl)-
Corazole (analeptic)
Ventrazol
1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene
7,8,9,10-Tetrazabicyclo[5.3.0]-8,10-decadiene
6,7,8,9-Tetrahydro-5H-tetrazoloazepine
Tetracor
PTZ
Phrenazol
Pentylenetetrazole
Pentylenetetrazol
Pentrolone
Pentrazol
Pentetrazole
Pentetrazol
1,5-Pentamethylenetetrazole
Pentamethylenetetrazole
Metrazole
Metrazol
Leptazol
Gewazol
Deumacard
Delzol W
Cortis
Corazole
Corazol
Corasol
Coranormol
Cerebro-nicin
Cenazol
Cardiazole
Cardiazol
6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine
5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-
Identifiers:
SMILES:
C1CCc2nnnn2CC1
InChI:
InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-boiling-point | 140 °C @ Press: 6 Torr None | Legacy Database |
| cas-canonical-smile | N=1N=C2N(N1)CCCCC2 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CWRVKFFCRWGWCS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 59.5 °C None | Legacy Database |
| cas-name | Pentylenetetrazole None | Legacy Database |
| LogP | 0.39949999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.174 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.09054632 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 43.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.372 | RDKit |
