Product Name

  • Name

    4-(Methylaminomethyl)benzonitrile

  • EINECS
  • CAS No. 34403-48-0
  • Article Data18
  • CAS DataBase
  • Density 1.04 g/cm3
  • Solubility
  • Melting Point 108-109 °C
  • Formula C9H10N2
  • Boiling Point 257.849 °C at 760 mmHg
  • Molecular Weight 146.192
  • Flash Point 109.744 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 34403-48-0 (4-(Methylaminomethyl)benzonitrile)
  • Hazard Symbols
  • Synonyms p-Tolunitrile,a-(methylamino)- (7CI,8CI);4-[(Methylamino)methyl]benzonitrile;N-Methyl-4-cyanobenzylamine;[(4-Cyanophenyl)methyl]-N-methylamine;a-(Methylamino)-p-toluonitrile;AC1Q415D;AKOS000147962;CID10606883;TL80090568;
  • PSA 35.82000
  • LogP 1.66858

4-(Methylaminomethyl)benzonitrile Specification

The 4-(Methylaminomethyl)benzonitrile with CAS registry number of 34403-48-0 is also known as Benzonitrile, 4-[(methylamino)methyl]-. The systematic name is 4-[(Methylamino)methyl]benzonitrile. It belongs to product categories of Polyamines. In addition, the formula is C9H10N2 and the molecular weight is 146.19.

Physical properties about 4-(Methylaminomethyl)benzonitrile are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.82Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.226 cm3; (15)Molar Volume: 140.534 cm3; (16)Polarizability: 17.533×10-24cm3; (17)Surface Tension: 42.884 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 109.744 °C; (20)Enthalpy of Vaporization: 49.542 kJ/mol; (21)Boiling Point: 257.849 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: N#Cc1ccc(cc1)CNC
2. InChI: InChI=1/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
3. InChIKey: DWXAJFNXJVIBDP-UHFFFAOYAW
4. Std. InChI: InChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
5. Std. InChIKey: DWXAJFNXJVIBDP-UHFFFAOYSA-N

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