-
Name
CI-305
- EINECS
- CAS No. 1867-72-7
- Density
- Solubility
- Melting Point
- Formula C8H20N2•2ClH
- Boiling Point 195.9°C at 760 mmHg
- Molecular Weight 217.22
- Flash Point 80.7°C
- Transport Information
- Appearance
- Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl. See also AMINES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 38.05000
- LogP 3.80860
N-tert-Butyl-1,4-butanediamine dihydrochloride Chemical Properties
Empirical Formula of N-tert-Butyl-1,4-butanediamine dihydrochloride (CAS NO.1867-72-7): C8H22Cl2N2
Molecular Weight: 217.1797
Flash Point: 80.7 °C
Enthalpy of Vaporization: 43.21 kJ/mol
Boiling Point: 195.9 °C at 760 mmHg
Vapour Pressure: 0.411 mmHg at 25 °C
Structure of N-tert-Butyl-1,4-butanediamine dihydrochloride (CAS NO.1867-72-7):
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IUPAC Name: 4-Azaniumylbutyl(tert-butyl)azanium dichloride
Canonical SMILES: CC(C)(C)[NH2+]CCCC[NH3+].[Cl-].[Cl-]
InChI: InChI=1S/C8H20N2.2ClH/c1-8(2,3)10-7-5-4-6-9;;/h10H,4-7,9H2,1-3H3;2*1H
InChIKey: JFKDTPNZOJXSNR-UHFFFAOYSA-N
N-tert-Butyl-1,4-butanediamine dihydrochloride Toxicity Data With Reference
| 1. | orl-rat LD50:810 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 2. | ipr-rat LD50:349 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 3. | scu-rat LD50:390 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 4. | ivn-rat LD50:186 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 5. | orl-mus LD50:1280 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 6. | ipr-mus LD50:418 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 7. | scu-mus LD50:1000 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. | ||
| 8. | ivn-mus LD50:88 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 154 (1965),263. |
N-tert-Butyl-1,4-butanediamine dihydrochloride Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition N-tert-Butyl-1,4-butanediamine dihydrochloride (CAS NO.1867-72-7) emits toxic fumes of NOx and HCl. See also AMINES.
N-tert-Butyl-1,4-butanediamine dihydrochloride Specification
N-tert-Butyl-1,4-butanediamine dihydrochloride , its cas register number is 1867-72-7. It also can be called CI-505 ; 1,4-Diaminobutane, N-tert-butyl-, dihydrochloride ; and Dibutadiamin dihydrochloride .
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