1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 151253
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c1ccc2c(c1)CCCC2N.Cl
• Canonical SMILES: NC1CCCc2c1cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
• InChIKey: DETWFIUAXSWCIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride; 1,2,3,4-四氢-1-萘胺 盐酸盐

Database IDs

• CAS Number: 49800-23-9
• MDL Number: MFCD00051984
• PubChem SID: 162245409; 24850630
• PubChem CID: 10192609

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92047
• LogD (pH = 7.4): -0.19281884
• Log P: 2.0878072
• Molar Refractivity: 46.7132 cm^3
• Polarizability: 18.460941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185-187 °C(lit.)
• Density: 0.974 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H13N · HCl

DETAILS

Sigma Aldrich - 177350

Packaging
5 g in glass bottle