dimethyl[2-(5-methyl-1H-indol-3-yl)ethyl]amine

• ChemBase ID: 130694
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: Cc1ccc2c(c1)c(c[nH]2)CCN(C)C
• Canonical SMILES: CN(CCc1c[nH]c2c1cc(C)cc2)C
• InChI: InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3
• InChIKey: NCGJLYBZSJSCIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(5-methyl-1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: 5,N,N-tmt
• Synonyms: 5-Methyl-N,N-dimethyltryptamine; 5-甲基-N,N-二甲基色胺

Database IDs

• CAS Number: 22120-39-4
• MDL Number: MFCD00047193
• PubChem SID: 24896677; 162224972
• PubChem CID: 1837

CALCULATED PROPERTIES

• Acid pKa: 17.395891
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5825503
• LogD (pH = 7.4): 0.6604862
• Log P: 2.8154871
• Molar Refractivity: 65.4834 cm^3
• Polarizability: 26.22744 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: NL7420000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20
• Safety Statements: 22-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~97%
• Grade: analytical standard

DETAILS

Sigma Aldrich - M1639

Biochem/physiol Actions
迷幻剂