Chemical Properties of Chlorambucil (CAS 305-03-3)

InChI

InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

InChI Key

JCKYGMPEJWAADB-UHFFFAOYSA-N

Formula

C14H19Cl2NO2

SMILES

O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1

Molecular Weight¹

304.21

CAS

305-03-3

Other Names

• Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-
• Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-
• «gamma»-[p-Di(2-chloroethyl)aminophenyl]butyric acid
• Ambochlorin
• Amboclorin
• Chloraminophene
• Chlorbutin
• Chloroambucil
• Chlorobutine
• CB 1348
• Ecloril
• Leukeran
• Leukersan
• Leukoran
• Linfolizin
• Linfolysin
• NSC 3088
• 4-[p-[Bis(2-Chloroethyl)amino]phenyl]butyric acid
• 4-[Bis(2-chloroethyl)amino]phenylbutyric acid
• «gamma»-(p-bis(2-chloroethyl)aminophenyl)butyricacid
• p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid
• p-N,N-Di-(«beta»-chloroethyl)aminophenyl butyric acid
• Cb l348
• Chloraminophen
• Chlorbutine
• Chlorobutin
• Elcoril
• N,N-Di-2-chloroethyl-«gamma»-p-aminophenylbutyric acid
• NCI-C03485
• Phenylbutyric acid nitrogen mustard
• 4-(p-Bis(«beta»-chloroethyl)aminophenyl)butyric acid
• 4-(Bis(2-chloroethyl)amino)benzenebutanoic acid
• Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-
• Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna
• Phenylbuttersaeure-lost
• Rcra waste number U035
• Leukeran tablets
• 4[p-[bis(2-chloroethyl)amino]benzene]butanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.20; 684.48]	J/mol×K	[784.39; 996.32]
Cp,gas	620.20	J/mol×K	784.39	Joback Calculated Property
Cp,gas	632.82	J/mol×K	819.71	Joback Calculated Property
Cp,gas	644.59	J/mol×K	855.03	Joback Calculated Property
Cp,gas	655.58	J/mol×K	890.35	Joback Calculated Property
Cp,gas	665.85	J/mol×K	925.67	Joback Calculated Property
Cp,gas	675.46	J/mol×K	960.99	Joback Calculated Property
Cp,gas	684.48	J/mol×K	996.32	Joback Calculated Property
ΔfusH	29.18	kJ/mol	338.90	NIST

Similar Compounds

Find more compounds similar to Chlorambucil.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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