2-methyl-1-(thiophen-2-yl)propan-1-amine

• ChemBase ID: 17044
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: c1(C(C(C)C)N)cccs1
• Canonical SMILES: CC(C(c1cccs1)N)C
• InChI: InChI=1S/C8H13NS/c1-6(2)8(9)7-4-3-5-10-7/h3-6,8H,9H2,1-2H3
• InChIKey: VJVICAYVXMSTAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(thiophen-2-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-1-(thiophen-2-yl)propan-1-amine
• Synonyms: 2-methyl-1-thien-2-ylpropan-1-amine; 2-Methyl-1-thiophen-2-yl-propylamine

Database IDs

• CAS Number: 56072-60-7
• MDL Number: MFCD07186378
• PubChem SID: 160980351
• PubChem CID: 3159240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6502015
• LogD (pH = 7.4): 0.4314778
• Log P: 2.315966
• Molar Refractivity: 44.8357 cm^3
• Polarizability: 17.869747 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.977

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%