1-(naphthalen-1-yl)ethan-1-amine

• ChemBase ID: 26803
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c1(c2c(ccc1)cccc2)C(N)C
• Canonical SMILES: CC(c1cccc2c1cccc2)N
• InChI: InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3
• InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-yl)ethan-1-amine
• IUPAC Traditional name: 1-(naphthalen-1-yl)ethanamine
• Synonyms: (±)-α-Methyl-1-naphthalenemethylamine; (±)-1-(1-Naphthyl)ethylamine; 1-(1-Naphthyl)ethylamine; (±)-1-(1-Naphthyl)ethylamine; 1-(1-Naphthyl)ethanamine; 1-(1-Aminoethyl)naphthalene; 1-(Naphth-1-yl)ethylamine; (S)-(-)-α-(1-NAPHTHYL)-ETHYLAMINE; (R)-(+)-α-(1-NAPHTHYL)-ETHYLAMINE; (+/-)1-(1-Naphthyl)ethylamine; (±)-1-萘基乙氨; (±)-α-甲基-1-萘甲胺; (±)-1-(1-萘基)乙胺; 1-(1-萘基)乙胺; (±)-1-(1-萘基)乙胺

Database IDs

• CAS Number: 42882-31-5; 10420-89-0; 3886-70-2
• MDL Number: MFCD00004014
• Beilstein Number: 3197375
• PubChem SID: 24857746; 24886120; 160990110
• PubChem CID: 98089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5094891
• LogD (pH = 7.4): 0.12105254
• Log P: 2.505066
• Molar Refractivity: 55.4004 cm^3
• Polarizability: 23.242867 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-156°C/15mm; 156 °C/15 mmHg(lit.); 156°C
• Flash Point: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• Density: 1.063; 1.063 g/mL at 25 °C(lit.)
• Refractive Index: 1.6230; n20/D 1.621(lit.); n20/D 1.623

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Toxic/Corrosive/Store under Argon
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 21-25-34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 98%
• Grade: purum
• Linear Formula: C10H7CH(CH3)NH2

DETAILS

MP Biomedicals - 02155796

Resolving agent

MP Biomedicals - 02155797

Resolving agent

Sigma Aldrich - 294926

Packaging
5 g in glass bottle