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CAS No.: | 3688-35-5 |
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Name: | 2-Amino-4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid |
Molecular Structure: | |
Formula: | C14H20Cl2N2O2 |
Molecular Weight: | 319.26 |
Synonyms: | Aminochlorambucil; |
Density: | 1.288g/cm3 |
Boiling Point: | 486.3°C at 760 mmHg |
Flash Point: | 247.9°C |
Safety: | Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
PSA: | 66.56000 |
LogP: | 3.01540 |
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IUPAC Name: 2-Amino-4-[4-[bis(2-Chloroethyl)amino]phenyl]butanoic acid
Following is the structure of Aminochlorambucil (CAS NO.3688-35-5):
Empirical Formula: C14H20Cl2N2O2
Molecular Weight: 319.2268 g/mol
Surface Tension: 53.5 dyne/cm
Density: 1.288 g/cm3
Flash Point: 247.9 °C
Enthalpy of Vaporization: 79.21 kJ/mol
Boiling Point: 486.3 °C at 760 mmHg
Vapour Pressure: 2.85E-10 mmHg at 25 °C
Index of Refraction of Aminochlorambucil (CAS NO.3688-35-5): 1.588
Canonical SMILES: C1=CC(=CC=C1CCC(C(=O)O)N)N(CCCl)CCCl
InChI: InChI=1S/C14H20Cl2N2O2/c15-7-9-18(10-8-16)12-4-1-11(2-5-12)3-6-13(17)14(19)20/h1-2,4-5,13H,3,6-10,17H2,(H,19,20)
InChIKey: WBIFEHLOTPXXKS-UHFFFAOYSA-N
1. | sln-dmg-unk 10 mmol/L | ANYAA9 Annals of the New York Academy of Sciences. 160 (1969),228. | ||
2. | sln-dmg-par 3 mmol/L | GENRA8 Genetical Research. 1 (1960),173. | ||
3. | sln-dmg par 3 mmol/L | GENRA8 Genetical Research. 1 (1960),173. | ||
4. | ipr-rat LDLo:25 mg/kg | BCPCA6 Biochemical Pharmacology. 5 (1960),192. | ||
5. | scu-mus LD10:20 mg/kg | EJCAAH European Journal of Cancer. 10 (1974),667. |
EPA Genetic Toxicology Program.
Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition, Aminochlorambucil (CAS NO.3688-35-5) emits very toxic fumes of Cl− and NOx.
Aminochlorambucil , its cas register number is 3688-35-5. It also can be called alpha-Amino-gamma-(p-dichloroethylamino)phenylbutyric acid ; alpha-Amino-gamma-p-(N,N-di-2-chloroethylamino)phenylbutyric acid ; and 2-Amino-4-(p-(bis(2-chloroethyl)amino)phenyl)butyric acid . Its classification code is Mutation data.