naphthalen-1-amine hydrochloride

• ChemBase ID: 294056
• Molecular Formular: C10H10ClN
• Molecular Mass: 179.6461
• Monoisotopic Mass: 179.05017701
• SMILES: Nc1c2ccccc2ccc1.Cl
• Canonical SMILES: Nc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H
• InChIKey: FOKKJVHTXPJHEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-amine hydrochloride
• IUPAC Traditional name: α naphthylamine hydrochloride
• Synonyms: Naphthalen-1-amine hydrochloride; 1-Naphthylamine hydrochloride; 1-萘基胺盐酸盐

Database IDs

• CAS Number: 552-46-5
• EC Number: 209-014-3
• MDL Number: MFCD00036370
• Merck Index: 146398
• PubChem SID: 180679587
• PubChem CID: 11094

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1157632
• LogD (pH = 7.4): 2.1335647
• Log P: 2.1337967
• Molar Refractivity: 47.2086 cm^3
• Polarizability: 19.131659 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol, ether
• Apperance: Crystalline

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: QM3150000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• Risk Statements: 45-22-51/53
• Safety Statements: 53-20-36-45-57
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H350-H411-H401
• GHS Precautionary statements: P281-P273-P301+P310-P321-P405-P501A

Product Information

• Purity: 95+%; 98%