Chemical Properties of Cytisine, N-formyl- (CAS 53007-06-0)

InChI

InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2

InChI Key

PCYQRXYBKKZUSR-UHFFFAOYSA-N

Formula

C12H14N2O2

SMILES

O=CN1CC2CC(C1)c1cccc(=O)n1C2

Molecular Weight¹

218.25

CAS

53007-06-0

Other Names

• N-Formylcytisine

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.07		Crippen Calculated Property
logPoct/wat	0.424		Crippen Calculated Property
McVol	161.860	ml/mol	McGowan Calculated Property
Inp	[2310.00; 2354.00]
Inp	2315.00		NIST
Inp	Outlier 2354.00		NIST
Inp	2315.00		NIST
Inp	2330.00		NIST
Inp	2330.00		NIST
Inp	2315.00		NIST
Inp	2330.00		NIST
Inp	2330.00		NIST
Inp	2334.00		NIST
Inp	2315.00		NIST
Inp	2310.00		NIST
Inp	2315.00		NIST
Inp	2315.00		NIST
Inp	2334.00		NIST
Inp	2315.00		NIST

Similar Compounds

Find more compounds similar to Cytisine, N-formyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.