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| CAS No.: | 54063-28-4 |
|---|---|
| Name: | Camiverine |
| Molecular Structure: | |
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| Formula: | C19H30 N2 O2 |
| Molecular Weight: | 318.459 |
| Synonyms: | Camiverine |
| Density: | 1.037g/cm3 |
| Boiling Point: | 423.4°Cat760mmHg |
| Flash Point: | 209.8°C |
| Safety: | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS. |
| PSA: | 41.57000 |
| LogP: | 3.33120 |
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Chemistry
Molecule structure of Camiverine (CAS NO.54063-28-4) :
IUPAC Name: 3-methylbutyl 2-phenyl-2-(2-pyrrolidin-1-ylethylamino)acetate
Molecular Weight: 318.4537 g/mol
Molecular Formula: C19H30N2O2
Density: 1.037 g/cm3
Boiling Point: 423.4 °C at 760 mmHg
Flash Point: 209.8 °C
Index of Refraction: 1.521
Molar Refractivity: 93.58 cm3
Molar Volume: 307 cm3
Polarizability: 37.1×10-24 cm3
Surface Tension: 39.7 dyne/cm
Enthalpy of Vaporization: 67.77 kJ/mol
Vapour Pressure: 2.24E-07 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 10
Exact Mass: 318.230728
MonoIsotopic Mass: 318.230728
Topological Polar Surface Area: 41.6
Heavy Atom Count: 23
Complexity: 334
Canonical SMILES: CC(C)CCOC(=O)C(C1=CC=CC=C1)NCCN2CCCC2
InChI: InChI=1S/C19H30N2O2/c1-16(2)10-15-23-19(22)18(17-8-4-3-5-9-17)20-11-14-21-12-6-7-13-21/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3
InChIKey: HKVGEMSALZULPM-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:140 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. | ||
| 2. | ivn-rat LD50:21 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. | ||
| 3. | orl-mus LD50:920 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. | ||
| 4. | ipr-mus LD50:175 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. | ||
| 5. | ivn-mus LD50:28 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. | ||
| 6. | ivn-rbt LD50:13 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 17 (1962),914. |
Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
Specification
Camiverine (CAS NO.54063-28-4) is also called 2-Phenyl-N-(2-(1-pyrrolidinyl)ethyl)glycine isopentyl ester ; BRN 1688773 ; Camiverina ; Camiverina [INN-Spanish] ; Camiverinum ; Camiverinum [INN-Latin] ; Estere isoamilico dell'acido alpha-(N-(pirrolidinoetil))-aminofenilacetico ; Estere isoamilico dell'acido alpha-(N-(pirrolidinoetil))-aminofenilacetico [Italian] ; FC 4/58 ; Isopentyl 2-phenyl-2-(2-(1-pyrrolidinyl)ethylamino)acetat ; Sanaspasmina ; UNII-S5D373PRDG . Camiverine (CAS NO.54063-28-4) is moderate toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.