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6940-81-4

Basic Information
CAS No.: 6940-81-4
Name: 2-Benzylamino-propan-1-ol
Article Data: 49
Molecular Structure:
Molecular Structure of 6940-81-4 (2-Benzylamino-propan-1-ol)
Formula: C10H15NO
Molecular Weight: 165.23
Synonyms: 1-Propanol, dl-2-benzylamino-;2-(Benzylamino)-1-propanol;ASINEX-REAG BAS 01478558;DL-2-Benzylamino-1-propanol;
Density: 1.02 g/cm3
Boiling Point: 292.2 °C at 760 mmHg
Flash Point: 119.9 °C
Hazard Symbols: IrritantXi
PSA: 32.26000
LogP: 1.54790
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Specification

The CAS register number of 2-Benzylamino-propan-1-ol is 6940-81-4. It also can be called as 1-Propanol, dl-2-benzylamino-. The molecular formula about this chemical is C10H15NO and the molecular weight is 165.23. It belongs to the following product category which includes pharmacetical. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Benzylamino-propan-1-ol are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): -1.48; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.01; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 50.15 cm3; (14)Molar Volume: 161.9 cm3; (15)Polarizability: 19.88x10-24cm3; (16)Surface Tension: 39.2 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 119.9 °C; (19)Enthalpy of Vaporization: 56.16 kJ/mol; (20)Boiling Point: 292.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000848 mmHg at 25 °C.

Uses of 2-Benzylamino-propan-1-ol: it can be used to produce 1-benzyl-2-methyl-aziridine and C16H25N3O4. This reaction will need reagents of (C6H5)3P, diethylazodicarboxylate and solvent of diethyl ether. The reaction time is 16 hours with ambient temperature. The yield is about 59%.

2-Benzylamino-propan-1-ol can be used to produce 1-benzyl-2-methyl-aziridine and C16H25N3O4.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(NCc1ccccc1)C
(2)InChI: InChI=1/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
(3)InChIKey: PJXWCRXOPLGFLX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
(5)Std. InChIKey: PJXWCRXOPLGFLX-UHFFFAOYSA-N