5,6,7,8-tetrahydronaphthalen-2-amine

• ChemBase ID: 139835
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1cc2c(cc1N)CCCC2
• Canonical SMILES: Nc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,11H2
• InChIKey: MOXOFSFWYLTCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalen-2-amine
• Synonyms: (5,6,7,8-Tetrahydronaphthalen-2-yl)amine; 2-Amino-5,6,7,8-tetrahydronaphthalene; 6-Amino-1,2,3,4-tetrahydronaphthalene; 6-Aminotetralin; 5,6,7,8-Tetrahydro-2-naphthylamine; (5,6,7,8-四氢萘-2-基)胺; 2-氨基-5,6,7,8-四氢化萘; 6-氨基-1,2,3,4-四氢化萘; 6-氨基四氢化萘; 5,6,7,8-四氢-2-萘胺

Database IDs

• CAS Number: 2217-43-8
• EC Number: 218-714-8
• MDL Number: MFCD00130046
• PubChem SID: 24885462; 162234083
• PubChem CID: 75193

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4799817
• LogD (pH = 7.4): 2.5948906
• Log P: 2.596574
• Molar Refractivity: 48.2406 cm^3
• Polarizability: 17.977362 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-38 °C
• Boiling Point: 110 °C/5 mmHg

Safety Information

• German water hazard class: 3

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H13N

DETAILS

Sigma Aldrich - 678864

Packaging
5 g in glass bottle