naphthalen-1-ylmethanamine

• ChemBase ID: 88449
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: NCc1c2c(ccc1)cccc2
• Canonical SMILES: NCc1cccc2c1cccc2
• InChI: InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
• InChIKey: NVSYANRBXPURRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-ylmethanamine; (naphthalen-1-yl)methanamine
• IUPAC Traditional name: naphthalen-1-ylmethanamine
• Synonyms: 1-(Aminomethyl)naphthalene; 1-Naphthalenemethylamine; 1-Naphthylmethylamine; (Naphth-1-yl)methylamine; 1-(Aminomethyl)naphthalene; 1-Naphthylmethylamine; 1-Naphthalenemethylamine; 1-Naphthalenemethylamine; 1-(氨基甲基)萘; 1-萘甲胺; 1-萘甲基胺

Database IDs

• CAS Number: 118-31-0
• EC Number: 204-244-0
• MDL Number: MFCD00004048
• Beilstein Number: 2206459
• PubChem SID: 24847758; 162075404
• PubChem CID: 8355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9139852
• LogD (pH = 7.4): -0.11365392
• Log P: 2.088491
• Molar Refractivity: 50.9816 cm^3
• Polarizability: 21.400492 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 289-292°C; 290-293 °C(lit.); 290-293°C
• Flash Point: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• Density: 1.073; 1.073 g/mL at 25 °C(lit.); 1.075
• Refractive Index: 1.6430; n20/D 1.643(lit.)

Safety Information

• Storage Warning: Air Sensitive; Irritant/Store under Argon
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Gene Information: rat ... Adra2a(25083)

Product Information

• Purity: 97%; 98+%
• Linear Formula: C10H7CH2NH2

DETAILS

Sigma Aldrich - 127035

Packaging
5, 25 g in glass bottle