-
Name
N-benzyl-N-methylbuta-2,3-dien-1-aminium chloride
- EINECS
- CAS No. 16719-32-7
- Density g/cm3
- Solubility
- Melting Point
- Formula C12H15 N . Cl H
- Boiling Point 238.5°Cat760mmHg
- Molecular Weight 209.74
- Flash Point 89.4°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes as Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzenemethanamine,N-2,3-butadienyl-N-methyl-, hydrochloride (9CI); Benzylamine, N-2,3-butadienyl-N-methyl-,hydrochloride (8CI); U 1247
- PSA
- LogP
N-2,3-Butadienyl-N-methylbenzylamine hydrochloride Chemical Properties
Product Name: N-2,3-Butadienyl-N-methylbenzylamine hydrochloride (CAS NO.16719-32-7)
Molecular Formula: C12H15N•ClH
Molecular Weight: 209.74g/mol
Mol File: 16719-32-7.mol
Boiling point: 238.5 °C at 760 mmHg
Flash Point: 89.4 °C
Enthalpy of Vaporization: 47.53 kJ/mol
Vapour Pressure: 0.0423 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of N-2,3-Butadienyl-N-methylbenzylamine hydrochloride (CAS NO.16719-32-7):
IUPAC Name: benzyl-buta-2,3-dienyl-methylazanium chloride
Canonical SMILES: C[NH+](CC=C=C)CC1=CC=CC=C1.[Cl-]
InChI: InChI=1S/C12H15N.ClH/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;/h4-9H,1,10-11H2,2H3;1H
InChIKey: QEUASYHCZZLPJX-UHFFFAOYSA-N
N-2,3-Butadienyl-N-methylbenzylamine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 156mg/kg (156mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmaceutical Sciences. Vol. 57, Pg. 430, 1968. |
| mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmaceutical Sciences. Vol. 57, Pg. 430, 1968. |
| mouse | LD50 | oral | 339mg/kg (339mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmaceutical Sciences. Vol. 57, Pg. 430, 1968. |
N-2,3-Butadienyl-N-methylbenzylamine hydrochloride Safety Profile
Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes as Cl− and NOx.
N-2,3-Butadienyl-N-methylbenzylamine hydrochloride Specification
N-2,3-Butadienyl-N-methylbenzylamine hydrochloride ,its CAS NO. is 16719-32-7,the synonyms is NSC 296331 ; Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride (9CI) ; Benzylamine, N-2,3-butadienyl-N-methyl-, hydrochloride .
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