Basic information
- Name:
Benzenemethanamine,N-methyl-
- Superlist Name:
- N-Methylbenzylamine
- CAS No.:
103-67-3
- Molecular Structure:
- Formula:
- C8H11N
- Molecular Weight:
- 121.18
- Deleted CAS:
- 854881-74-6
- Synonyms:
- Benzylamine,N-methyl- (8CI);Benzylmethylamine;N-(Phenylmethyl)methylamine;N-Benzyl-N-methylamine;N-Benzylmethylamine;N-Methyl-1-phenylmethanamine;N-Methyl-N-(phenylmethyl)amine;N-Methyl-N-benzylamine;N-Methylbenzenemethanamine;NSC 8059;
- EINECS:
- 203-133-4
- Density:
- 0.939 g/mL at 25 °C(lit.)
- Melting Point:
- -24 °C
- Boiling Point:
- 180.5 °C at 760 mmHg
- Flash Point:
- 77.8 °C
- Solubility:
- Water: 65 g/L (20°C )
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
C- Risk Codes:
- 34-42/43-22
- Safety Description:
- 23-26-36/37/39-45 Details
- Transport Information:
- UN 2735 8/PG 2
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Specification
The N-Methylbenzylamine with CAS registry number of 103-67-3 is also known as Benzenemethanamine,N-methyl-. The IUPAC name is N-Methyl-1-phenylmethanamine. It belongs to product categories of Pharmaceutical Intermediates; Amine. Its EINECS registry number is 203-133-4. In addition, the formula is C8H11N and the molecular weight is 121.18. This chemical is a colorless to light yellow liquid that soluble in organic solvents. Besides, it may destroy living tissue on contact and should be sealed in ventilated, cool place away from fire, heat, oxidants. What's more, this chemical is used as pharmaceutical or dye intermediate and organic solvent.
Physical properties about N-Methylbenzylamine are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 39.39 cm3; (14)Molar Volume: 131 cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 0.924 g/cm3; (17)Flash Point: 77.8 °C; (18)Enthalpy of Vaporization: 41.68 kJ/mol; (19)Boiling Point: 180.5 °C at 760 mmHg; (20)Vapour Pressure: 0.893 mmHg at 25 °C.
Preparation of N-Methylbenzylamine: it is prepared by reaction of benzyl chloride and trimethylamine with solvent benzene. Firstly, trimethylamine and benzene are added into reactor. When benzyl chloride has dropped into the reactor, the raction mixture is heated to 45 °C for 4 hours. Then sodium hydroxide is added and reaction occurs for another 1 hour. At last, product is obtained by collecting distillate at 75-130 °C (2.0-6.67kPa).
Uses of N-Methylbenzylamine: it is used to produce N-benzyl-N-methyl-acetamide by acetylation reaction with acetic acid. The reaction occurs with reagents 1,8-bis(dimethylaminonaphthalene), (EtO)2PO-N(Ph)-SO2CF3 and solvent CH2Cl2 for 1 hour. The yield is about 96%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and it may cause sensitisation by inhalation and skin contact. Besides, it can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNCC1=CC=CC=C1
2. InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
3. InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N