-
Name
1-carboxy-N,N-bis(2-chloroethyl)ethanaminium chloride
- EINECS
- CAS No. 3374-04-7
- Density g/cm3
- Solubility
- Melting Point
- Formula C7H13Cl2NO2•ClH
- Boiling Point 248.3°Cat760mmHg
- Molecular Weight 250.57
- Flash Point 104°C
- Transport Information
- Appearance
- Safety Deadly poison by intracerebral and intravenous routes. Human systemic effects by an unspecified route: bone marrow changes. When heated to decomposition it emits very toxic fumes of Cl−, NOx and HCl.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride Chemical Properties
Product Name: N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride (CAS NO.3374-04-7)
Molecular Formula: C7H13Cl2NO2•ClH
Molecular Weight: 250.57g/mol
Mol File: 3374-04-7.mol
Boiling point: 248.3 °C at 760 mmHg
Flash Point: 104 °C
Enthalpy of Vaporization: 53.46 kJ/mol
Vapour Pressure: 0.00783 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride (CAS NO.3374-04-7):
IUPAC Name: 2-[bis(2-chloroethyl)amino]propanoic acid hydrochloride
Canonical SMILES: CC(C(=O)O)N(CCCl)CCCl.Cl
InChI: InChI=1S/C7H13Cl2NO2.ClH/c1-6(7(11)12)10(4-2-8)5-3-9;/h6H,2-5H2,1H3,(H,11,12);1H
InChIKey: OSFZRZNDOBDGPU-UHFFFAOYSA-N
N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride Toxicity Data With Reference
| 1. | ice-rat LD50:225 µg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 18 (1966),760. | ||
| 2. | unk-man TDLo:900 µg/kg:UNS | CCROBU Cancer Chemotherapy Reports, Part 1. 50 (1966),219. | ||
| 3. | ivn-dog LDLo:1 mg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),201. | ||
| 4. | ivn-mky LDLo:1 mg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),201. |
N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride Safety Profile
Deadly poison by intracerebral and intravenous routes. Human systemic effects by an unspecified route: bone marrow changes. When heated to decomposition it emits very toxic fumes of Cl−, NOx and HCl.
N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride Specification
N,N-Bis(beta-chloroethyl) DL-alanine hydrochloride ,its CAS NO. is 3374-04-7,the synonyms is AI3-50855 ; Alanine mustard ; Alanine, N,N-bis(2-chloroethyl)-, hydrochloride, dl- ; NSC 17663 .
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