Chemical Properties of Cytisine (CAS 485-35-8)

InChI

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2

InChI Key

ANJTVLIZGCUXLD-UHFFFAOYSA-N

Formula

C11H14N2O

SMILES

O=c1cccc2n1CC1CNCC2C1

Molecular Weight¹

190.24

CAS

485-35-8

Other Names

• (-)-Cytisine
• 1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, (1R)-
• 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-
• 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-
• 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-
• Baptitoxin
• Baptitoxine
• Citizin
• Cystisine
• Cytisin
• Cytiton
• Cytitone
• Cytizin
• Laburnin
• Sophorin
• Sophorine
• Tabax
• Tabex
• Tsitizin
• Ulexin
• Ulexine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	0.36		Aq. Sol...
logPoct/wat	0.555		Crippen Calculated Property
McVol	146.200	ml/mol	McGowan Calculated Property
Inp	[1985.00; 1995.00]
Inp	1990.00		NIST
Inp	1992.00		NIST
Inp	1990.00		NIST
Inp	1990.00		NIST
Inp	1990.00		NIST
Inp	1987.00		NIST
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	1990.00		NIST
Inp	1995.00		NIST
Inp	1995.00		NIST
Inp	1990.00		NIST
Inp	1990.00		NIST
Inp	1985.00		NIST
Inp	1990.00		NIST
Inp	1995.00		NIST
Tfus	425.65	K	Aq. Sol...

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cytisine.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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