5,6,7,8-tetrahydronaphthalen-1-amine

• ChemBase ID: 68449
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1(cccc2CCCCc12)N
• Canonical SMILES: Nc1cccc2c1CCCC2
• InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
• InChIKey: SODWJACROGQSMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalen-1-amine
• Synonyms: 5,6,7,8-Tetrahydro-1-naphthylamine; 5,6,7,8-Tetrahydronaphthalen-1-amine; 1-Amino-5,6,7,8-tetrahydronaphthalene 98%; 1-Amino-5,6,7,8-tetrahydronaphthalene; 5-Aminotetralin; 5,6,7,8-Tetrahydro-1-naphthylamine; 5-Aminotetralin; 5,6,7,8-tetrahydronaphthalen-1-amine; 1-氨基-5,6,7,8-四氢化萘; 5-氨基四氢化萘; 5,6,7,8-四氢-1-萘胺

Database IDs

• CAS Number: 2217-41-6
• EC Number: 218-713-2
• MDL Number: MFCD00001736
• Beilstein Number: 387264
• PubChem SID: 24891303; 162034180
• PubChem CID: 16671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5588567
• LogD (pH = 7.4): 2.596078
• Log P: 2.596574
• Molar Refractivity: 48.2406 cm^3
• Polarizability: 17.97827 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 38°C; 38 °C(lit.); 38°C
• Boiling Point: 275°C/715mm; 275-277 °C/713 mmHg(lit.)
• Flash Point: 113 °C; 113°C; 235.4 °F
• Density: 1.056
• Refractive Index: n20/D 1.590(lit.)
• Hydrophobicity(logP): 2.487

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon; IRRITANT
• RTECS: QM4780000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C10H13N

DETAILS

Sigma Aldrich - A80009

Packaging
5, 25 g in glass bottle