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

Chlorambucil

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

Property Value Unit Source
ΔfusH° 47.23 kJ/mol Joback Calculated Property
IE 7.71 eV Relay (1.0) Calculated Property
log10WS -4.31 Relay (1.0) Calculated Property
logPoct/wat 3.378 Crippen Calculated Property
McVol 226.260 ml/mol McGowan Calculated Property
Pc 2005.50 kPa Joback Calculated Property
Tboil 648.19 K Relay (1.0) Calculated Property
Tfus [337.65; 340.08] K Show Hide
Tfus 337.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 340.08 ± 0.20 K NIST

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
ΔfusH 29.18 kJ/mol 338.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.71; 685.39] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.75300e+00
Coefficient B1.38370e+00
Coefficient C-9.27960e-04
Coefficient D2.39400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.71 J/mol×K 273.00 Calculated Property
Cp,gas 374.23 J/mol×K 353.78 Calculated Property
Cp,gas 435.95 J/mol×K 434.56 Calculated Property
Cp,gas 489.64 J/mol×K 515.33 Calculated Property
Cp,gas 536.05 J/mol×K 596.11 Calculated Property
Cp,gas 575.93 J/mol×K 676.89 Calculated Property
Cp,gas 610.05 J/mol×K 757.67 Calculated Property
Cp,gas 639.16 J/mol×K 838.44 Calculated Property
Cp,gas 664.02 J/mol×K 919.22 Calculated Property
Cp,gas 685.39 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcolysin. Spiperone. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-TFA. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. claritine. Rutamarin. Norhydrocodone. Benazepril desethyl 3Me (Benazeprilate 3Me). 2,3,16,17-Tetrakis[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16«alpha»,17«beta»)-. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-PFP. APRINDINE, M(HO-), AC. Amlodipine. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Hydromorphone.

Find more compounds similar to Chlorambucil.

Sources

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