N,N-dimethylnaphthalen-1-amine

• ChemBase ID: 110102
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: CN(C)c1cccc2c1cccc2
• Canonical SMILES: CN(c1cccc2c1cccc2)C
• InChI: InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
• InChIKey: AJUXDFHPVZQOGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylnaphthalen-1-amine
• IUPAC Traditional name: N,N-dimethyl-1-naphthylamine
• Synonyms: N,N-DIMETHYL-α-NAPHTHYL AMINE; N,N-dimethylnaphthalen-1-amine; N,N-Dimethyl-1-naphthylamine; 1-Dimethylaminonaphthalene; N,N-Dimethyl-1-naphthylamine; 1-dimethylaminoNaphthalene; N,N-二甲基-1-萘胺

Database IDs

• CAS Number: 86-56-6
• EC Number: 201-682-4
• MDL Number: MFCD00003919
• Beilstein Number: 1424075
• Merck Index: 143252
• PubChem SID: 24893807; 162096364
• PubChem CID: 24893807; 6848
• Chemspider ID: 6587
• Wikipedia Title: N,N-Dimethyl-1-naphthylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.910234
• LogD (pH = 7.4): 3.0683272
• Log P: 3.0707664
• Molar Refractivity: 56.9368 cm^3
• Polarizability: 22.818611 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown; Liquid
• Melting Point: °C
• Boiling Point: 139-140 °C/13 mmHg(lit.); 139-140 °C at 13 mmHg; 145-147°C/12mm
• Flash Point: 113 °C; 235.4 °F
• Density: 1.039; 1.042 g/mL at 25 °C(lit.); 1.042 g/cm3 at 25 °C
• Refractive Index: 1.6230; n20/D 1.622; n20/D 1.622(lit.)

Safety Information

• RTECS: QM2825000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38-51/53; R:22
• Safety Statements: 23-26-36/37-57-60; 26-36-61; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335-H411-H401; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: C10H7N(CH3)2

DETAILS

MP Biomedicals - 05213755

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D4011

包装
10, 25, 100, 500 mL in glass bottle