Product Name

  • Name

    N-benzyl-1-octanamine

  • EINECS
  • CAS No. 1667-16-9
  • Article Data52
  • CAS DataBase
  • Density 0.889 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H25N
  • Boiling Point 305 °C at 760 mmHg
  • Molecular Weight 219.37
  • Flash Point 122.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1667-16-9 (N-benzyl-1-octanamine)
  • Hazard Symbols
  • Synonyms N-Benzyl-1-octanamine;N-Benzyloctylamine;N-Octylbenzylamine;Octylbenzylamine;Benzyloctylamine;1-Octanamine, N-(phenylmethyl)-;Octylamine,N-benzyl- (6CI,7CI,8CI);
  • PSA 12.03000
  • LogP 4.52760

Benzenemethanamine,N-octyl- Specification

This chemical is called Benzenemethanamine,N-octyl-, and its systematic name is N-benzyloctan-1-amine. With the molecular formula of C15H25N, its molecular weight is 219.37. The CAS registry number of the chemical is 1667-16-9. 

Other characteristics of Benzenemethanamine,N-octyl- can be summarised as followings: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 4.68; (6)ACD/BCF (pH 7.4): 20.53; (7)ACD/KOC (pH 5.5): 13.99; (8)ACD/KOC (pH 7.4): 61.36; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 71.82 cm3; (15)Molar Volume: 246.6 cm3; (16)Polarizability: 28.47×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.889 g/cm3; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 54.54 kJ/mol; (21)Boiling Point: 305 °C at 760 mmHg; (22)Vapour Pressure: 0.000843 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N(CCCCCCCC)Cc1ccccc1
2.InChI: InChI=1/C15H25N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3
3.InChIKey: VRYPROVLGPMATH-UHFFFAOYAU
4.Std. InChI: InChI=1S/C15H25N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3
5.Std. InChIKey: VRYPROVLGPMATH-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD691-490,

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