diphenylmethanamine

• ChemBase ID: 92023
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: NC(c1ccccc1)c1ccccc1
• Canonical SMILES: NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
• InChIKey: MGHPNCMVUAKAIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylmethanamine
• IUPAC Traditional name: benzhydrylamin
• Synonyms: 1,1-Diphenylmethylamine; Aminodiphenylmethane; Benzhydrylamine; diphenylmethanamine; α-Phenyl-benzenemethanamine; 1-Amino-1-(phenylmethyl)benzene; NSC 49127; α-Aminodiphenylmethane; Benzhydrylamine; diphenylmethylamine; α-氨基二苯甲烷; 二苯甲胺; 二苯甲基胺

Database IDs

• CAS Number: 91-00-9; 552-82-9
• EC Number: 202-032-2
• MDL Number: MFCD00008059
• Beilstein Number: 776434
• Merck Index: 141076
• PubChem SID: 24890969; 162078721; 24846125
• PubChem CID: 7036

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03581461
• LogD (pH = 7.4): 1.2365433
• Log P: 2.8832545
• Molar Refractivity: 58.8142 cm^3
• Polarizability: 23.393534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Chloroform; Methanol; Slightly soluble in water
• Apperance: Colourless Liquid
• Melting Point: 11-13°C; 11-13°C; 12 °C(lit.); 12°C; 293 - 295°C
• Boiling Point: 294-296°C; 294-296°C; 295 °C(lit.); 295°C
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: ~1.06 g/ml; 1.063; 1.063 g/mL at 25 °C(lit.); 1.064
• Refractive Index: 1.595; 1.5950; n20/D 1.595(lit.); n20/D 1.596
• Hydrophobicity(logP): 2.442

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Air Sensitive; Corrosive/Harmful/Air Sensitive/Store under Argon
• RTECS: DA4407300
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 22-36/37/38
• Safety Statements: 20-23-26-36/37/39-45; 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H314-H318; H302-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-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: ≥97.0% (GC); 95%; 97%; 98%
• Grade: purum
• Linear Formula: (C6H5)2CHNH2

DETAILS

MP Biomedicals - 02150434

1 ml = ~1.06 g

Sigma Aldrich - A53605

Packaging
5, 25, 100 g in glass bottle

REFERENCES

• Mastrangelo, E., et al.: J. Mol. Biol., 384, 673 (2008)
• Singh, G., et al.: Eur. J. Med. Chem., 44, 2265 (2008)