Chemical Properties of Bamipine (CAS 4945-47-5)

InChI

InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3

InChI Key

VZSXTYKGYWISGQ-UHFFFAOYSA-N

Formula

C19H24N2

SMILES

CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1

Molecular Weight¹

280.41

CAS

4945-47-5

Other Names

• 4-Piperidinamine, 1-methyl-N-phenyl-N-(phenylmethyl)-
• Piperidine, 4-(N-benzyl-N-phenylamino)-1-methyl-
• 4-(N-Benzyl-N-phenylamino)-1-methylpiperidine
• N-Phenyl-N-benzyl-4-amino-1-methyl-piperidine
• 4-(N-Benzylanilino)-1-methylpiperidine
• Piperamine
• Soventol

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5578		Relay (1.0) Calculated Property
ΔfG°	465.29	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	238.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	96.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	3.787		Crippen Calculated Property
McVol	240.150	ml/mol	McGowan Calculated Property
Pc	1873.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[2211.00; 2260.00]
Inp	2250.00		NIST
Inp	2235.00		NIST
Inp	2260.00		NIST
Inp	2211.00		NIST
Inp	2250.00		NIST
Inp	2211.00		NIST
Tboil	652.45	K	Relay (1.0) Calculated Property
Tc	904.99	K	Relay (1.0) Calculated Property
Tfus	371.92	K	Relay (1.0) Calculated Property
Vc	0.860	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Bamipine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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