Basic information
- Name:
Benzenemethanamine,N-(phenylmethyl)-
- Superlist Name:
- Dibenzylamine
- CAS No.:
103-49-1
- Molecular Structure:
- Formula:
- C14H15N
- Molecular Weight:
- 197.28
- Deleted CAS:
- 306991-23-1
- Synonyms:
- Dibenzylamine(8CI);(N-Benzylaminomethyl)benzene;Bibenzylamine;DBA;N,N-Dibenzylamine;N-(Phenylmethyl)benzenemethanamine;N-Benzylbenzylamine;NSC 4811;
- EINECS:
- 203-117-7
- Density:
- 1.026 g/cm3
- Melting Point:
- -26 °C(lit.)
- Boiling Point:
- 300 °C at 760 mmHg
- Flash Point:
- 143.3 °C
- Solubility:
- soluble in alcohol and ether, insoluble in water
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
Xn,
Xi,
C- Risk Codes:
- 22-36/38-52/53-34
- Safety Description:
- 26-61-45-36/37/39 Details
- Transport Information:
- UN 2810
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Specification
The Dibenzylamine, with CAS registry number of 103-49-1, is also known as Benzenemethanamine,N-(phenylmethyl)-. The IUPAC name is N-Benzyl-1-phenylmethanamine. It belongs to product categories of Pharmaceutical Intermediates; Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 203-117-7. In addition, the formula is C14H15N and the molecular weight is 197.28. This chemical is a colorless to light yellow liquid that soluble in alcohol and ether, insoluble in water. Besides, it should be sealed in ventilated, cool place away from fire, heat, oxidants and even acids. This chemical is used as intermediates in organic synthesis and used for determination of cobalt, iron and cyanates.
Physical properties about Dibenzylamine are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 9.98; (6)ACD/KOC (pH 5.5): 2.32; (7)ACD/KOC (pH 7.4): 73.67; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 63.88 cm3; (13)Molar Volume: 191.7 cm3; (14)Surface Tension: 40.5 dyne/cm; (15)Density: 1.028 g/cm3; (16)Flash Point: 143.3 °C; (17)Enthalpy of Vaporization: 54 kJ/mol; (18)Boiling Point: 300 °C at 760 mmHg; (19)Vapour Pressure: 0.00115 mmHg at 25 °C.
Preparation of Dibenzylamine: it is prepared by reaction of benzaldehyde with benzylamine. The reaction needs reagent benzyltriphenylphosphonium borohydride and solvent methanol at the temperature of 20 °C for 20 minutes. The yield is about 98%.
Uses of Dibenzylamine: it is used to produce dibenzyl-nitroso-amine. The reaction occurs with reagent cross-linked polyvinylpyrrolidone·N2O4 and solvent CH2Cl2 at 20 °C for 5 minutes. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. This chemical is harmful if swallowed and also is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. What's more, it causes burns. When using it, you should wear suitable protective clothing, gloves and eye/face protection. You must avoid releasing it to the environment. If contact with eyes accidently, you must rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, you should seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CNCC2=CC=CC=C2
(2) InChI: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
(3)InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N