1-(naphthalen-1-yl)(2,2,2-2H3)ethan-1-amine

• ChemBase ID: 174854
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c1cccc2c1c(ccc2)C(N)C
• Canonical SMILES: CC(c1cccc2c1cccc2)N
• InChI: InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3
• InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-yl)(2,2,2-^2H₃)ethan-1-amine
• IUPAC Traditional name: 1-(naphthalen-1-yl)(2,2,2-^2H₃)ethanamine
• Synonyms: (1-(Naphthalen-1-yl)ethyl)amine-d3; 1-Amino-1-(1-naphthyl)ethane-d3; α-Methyl-d3-1-Naphthalenemethanamine; NSC 180601-d3; NSC 75881-d3; 1-(1-Naphthyl)ethylamine-d3

Database IDs

• CAS Number: 1091627-43-8
• PubChem SID: 164230764
• PubChem CID: 46782452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5094891
• LogD (pH = 7.4): 0.12105254
• Log P: 2.505066
• Molar Refractivity: 55.4004 cm^3
• Polarizability: 23.243042 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow Semi Solid

Safety Information

• Storage Condition: Refrigerator