dimethyl[(1S)-1-(naphthalen-1-yl)ethyl]amine

• ChemBase ID: 150756
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: C[C@@H](c1cccc2c1cccc2)N(C)C
• Canonical SMILES: CN([C@H](c1cccc2c1cccc2)C)C
• InChI: InChI=1S/C14H17N/c1-11(15(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11H,1-3H3/t11-/m0/s1
• InChIKey: AXRXYILTIWBHEP-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(1S)-1-(naphthalen-1-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[(1S)-1-(naphthalen-1-yl)ethyl]amine
• Synonyms: (S)-(-)-N,N-Dimethyl-1-(1-naphthyl)ethylamine; (S)-(-)-N,N-二甲基-1-(1-萘基)乙胺

Database IDs

• CAS Number: 121045-73-6
• MDL Number: MFCD00066328
• PubChem SID: 24869864; 162244916
• PubChem CID: 10875691

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.100090094
• LogD (pH = 7.4): 1.0527825
• Log P: 3.3206944
• Molar Refractivity: 65.4697 cm^3
• Polarizability: 26.930225 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 212 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.006 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.591(lit.)
• Optical Rotation: [α]23/D -43°, c = 2 in methanol

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 97%
• Linear Formula: C10H7CH(CH3)N(CH3)2

DETAILS

Sigma Aldrich - 461504

Packaging
1 g in glass bottle