Product Name

  • Name

    2-Amino-4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid

  • EINECS
  • CAS No. 3688-35-5
  • Density 1.288g/cm3
  • Solubility
  • Melting Point
  • Formula C14H20Cl2N2O2
  • Boiling Point 486.3°C at 760 mmHg
  • Molecular Weight 319.26
  • Flash Point 247.9°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3688-35-5 (2-Amino-4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid)
  • Hazard Symbols
  • Synonyms Aminochlorambucil;
  • PSA 66.56000
  • LogP 3.01540

Aminochlorambucil Chemical Properties

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

Aminochlorambucil Toxicity Data With Reference

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.

Aminochlorambucil Consensus Reports

EPA Genetic Toxicology Program.

Aminochlorambucil Safety Profile

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 Specification

 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.

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