dimethyl[2-(10H-phenothiazin-10-yl)ethyl]amine hydrochloride

• ChemBase ID: 54756
• Molecular Formular: C16H19ClN2S
• Molecular Mass: 306.85346
• Monoisotopic Mass: 306.0957473
• SMILES: N1(c2c(Sc3c1cccc3)cccc2)CCN(C)C.Cl
• Canonical SMILES: CN(CCN1c2ccccc2Sc2c1cccc2)C.Cl
• InChI: InChI=1S/C16H18N2S.ClH/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18;/h3-10H,11-12H2,1-2H3;1H
• InChIKey: CKIPCLCBYTWUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(10H-phenothiazin-10-yl)ethyl]amine hydrochloride
• IUPAC Traditional name: anergen hydrochloride
• Synonyms: N,N-Dimethyl-2-(10H-phenothiazin-10-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 5934-20-3
• MDL Number: MFCD01706893
• PubChem SID: 162059519
• PubChem CID: 80042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8080294
• LogD (pH = 7.4): 2.4961324
• Log P: 3.8709958
• Molar Refractivity: 84.0861 cm^3
• Polarizability: 32.307716 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false