methyl(naphthalen-1-ylmethyl)amine hydrochloride

• ChemBase ID: 76907
• Molecular Formular: C12H14ClN
• Molecular Mass: 207.69926
• Monoisotopic Mass: 207.08147713
• SMILES: N(Cc1cccc2ccccc12)C.Cl
• Canonical SMILES: CNCc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C12H13N.ClH/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,13H,9H2,1H3;1H
• InChIKey: BVJVHPKFDIYQOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(naphthalen-1-ylmethyl)amine hydrochloride
• IUPAC Traditional name: methyl(naphthalen-1-ylmethyl)amine hydrochloride
• Synonyms: methyl(naphthalen-1-ylmethyl)amine hydrochloride; N-Methyl-1-naphthalenemethylamine hydrochloride; N-methyl-1-(naphthalen-1-yl)methanamine hydrochloride; N-Methyl-1-naphthylmethylamine hydrochloride; N-Methyl-1-(naphth-1-yl)methylamine hydrochloride; 1-[(Methylamino)methyl]naphthalene hydrochloride; N-甲基-1-萘甲胺 盐酸盐; N-甲基-1-萘甲胺盐酸盐

Database IDs

• CAS Number: 65473-13-4
• MDL Number: MFCD00012555
• PubChem SID: 162041806; 24855873
• PubChem CID: 16211748

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6959602
• LogD (pH = 7.4): 0.034333013
• Log P: 2.5210714
• Molar Refractivity: 55.7562 cm^3
• Polarizability: 23.243214 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190-193°C; 191 - 193°C; 191-193 °C(lit.)
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Salt Data: HCl
• Linear Formula: C10H7CH2NHCH3 · HCl

DETAILS

Sigma Aldrich - 262315

Packaging
1 g in glass bottle
Application
Reagent for determination of isocyanates in air by UV or fluorescence detection.1