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| CAS No.: | 91-00-9 |
|---|---|
| Name: | Aminodiphenylmethane |
| Article Data: | 171 |
| Molecular Structure: | |
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|
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| Formula: | C13H13N |
| Molecular Weight: | 183.253 |
| Synonyms: | Benzhydrylamine;(Diphenylmethyl)amine;1,1-Diphenylmethylamine;Methanamine, 1,1-diphenyl-;alpha-Phenylbenzenemethanamine;alpha-Phenylbenzylamine;UNII-4BO6ISS9DX;NSC 49127;Methylamine, 1,1-diphenyl- (6CI,7CI,8CI); |
| EINECS: | 202-032-2 |
| Density: | 1.057 g/cm3 |
| Melting Point: | 12 °C |
| Boiling Point: | 301.1 °C at 760 mmHg |
| Flash Point: | 141.8 °C |
| Solubility: | slightly soluble in water |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 26.02000 |
| LogP: | 3.43500 |
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Specification
The Aminodiphenylmethane with CAS registry number of 91-00-9 is also known as Benzenemethanamine,a-phenyl-. The IUPAC name is Diphenylmethanamine. It belongs to product categories of Pharmaceutical Intermediates; Benzene Series; Amines; Aromatics. Its EINECS registry number is 202-032-2. In addition, the formula is C13H13N and the molecular weight is 183.25. This chemical is a colorless liquid that slightly soluble in water. It should be stored in sealed containers without light. Besides, it may cause damage to health and may cause inflammation to the skin or other mucous membranes. What's more, this chemical is used for organic synthesis.
Physical properties about Aminodiphenylmethane are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.57; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 46; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 59.1 cm3; (14)Molar Volume: 173.2 cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Density: 1.057 g/cm3; (17)Flash Point: 141.8 °C; (18)Enthalpy of Vaporization: 54.12 kJ/mol; (19)Boiling Point: 301.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00108 mmHg at 25 °C.
Preparation of Aminodiphenylmethane: it is prepared by reaction of benzhydrylideneamine. The reaction needs reagent NaBH4 and solvent methanol for 2 hours. The yield is about 99%.
Uses of Aminodiphenylmethane: it is used to produce furan-2-carboxylic acid benzhydrylamide by reaction with furan-2-carbonyl chloride. The reaction occurs with reagent pyridine and solvent benzene with other condition of heating for 1 hour. The yield is about 44%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system, skin and harmful if swallowed. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: c1(ccccc1)C(N)c2ccccc2
2. InChI: InChI=1/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
3. InChIKey: MGHPNCMVUAKAIE-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
5. Std. InChIKey: MGHPNCMVUAKAIE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 400mg/kg (400mg/kg) | Pharmaceutical Chemistry Journal Vol. 28, Pg. 163, 1994. |