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Cas Database |
| Name |
D-Sarcolysine |
EINECS | N/A |
| CAS No. | 13045-94-8 | Density | 1.32g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H18 Cl2 N2 O2 | Boiling Point | 473.1°C at 760 mmHg |
| Molecular Weight | 305.204 | Flash Point | 239.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A deadly poison by intracerebral route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alanine,3-[p-[bis(2-chloroethyl)amino]phenyl]-, D- (8CI); CB 3026; D-Melphalan;D-Phenylalanine mustard; Medphalan; NSC 35051 |
Article Data | 1 |
D-Sarcolysine Chemical Properties
Molecule structure of D-Sarcolysine (CAS NO.13045-94-8):
IUPAC Name: 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular Weight: 305.20022 g/mol
Molecular Formula: C13H18Cl2N2O2
Density: 1.32 g/cm3
Boiling Point: 473.1 °C at 760 mmHg
Flash Point: 239.9 °C
Index of Refraction: 1.596
Molar Refractivity: 78.77 cm3
Molar Volume: 231.2 cm3
Polarizability: 31.22×10-24 cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 77.55 kJ/mol
Vapour Pressure: 9.33E-10 mmHg at 25 °C
XLogP3: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 304.074533
MonoIsotopic Mass: 304.074533
Topological Polar Surface Area: 66.6
Heavy Atom Count: 19
Complexity: 265
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
InChI: InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
InChIKey of D-Sarcolysine (CAS NO.13045-94-8): SGDBTWWWUNNDEQ-UHFFFAOYSA-N
D-Sarcolysine Toxicity Data With Reference
| 1. | cyt-dmg-par 10 mmol/L | JOGNAU Journal of Genetics. 54 (1956),146. | ||
| 2. | sln-dmg-par 8 mmol/L | GENRA8 Genetical Research. 1 (1960),173. | ||
| 3. | ice-rat LD50:113 µg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 18 (1966),760. |
D-Sarcolysine Consensus Reports
EPA Genetic Toxicology Program.
D-Sarcolysine Safety Profile
A deadly poison by intracerebral route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
D-Sarcolysine Specification
D-Sarcolysine (CAS NO.13045-94-8) is also named as (+)-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine ; (p-Di(2-chloroethyl)amino-D-phenyl)alanine ; 3026 C. B. ; 3026 C.B. ; 4-(Bis(2-chloroethyl)amino)-D-phenylalanine ; CB-3026 ; D-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine ; D-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)- ; D-Phenylalanine mustard ; D-Sarcolysin ; Medfalan ; Medphalan ; NSC 35051 ; p-Di(2-chloroethyl)amino-d-phenylalanine .
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