N-Benzyl-1,3-propanediamine
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N-Benzyl-1,3-propanediamine
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CAS No:
13910-48-0
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Formula:
C10H16N2
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Chemical Name:
N-Benzyl-1,3-propanediamine
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Synonyms:
1,3-Propanediamine,N1-(phenylmethyl)-;1,3-Propanediamine,N-benzyl-;1,3-Propanediamine,N-(phenylmethyl)-;Benzylamine,N-(3-aminopropyl)-;N1-(Phenylmethyl)-1,3-propanediamine;1-Benzylamino-3-aminopropane;N-Benzylpropylenediamine;N-(Phenylmethyl)-1,3-propanediamine;N-Benzyl-1,3-diaminopropane;N-Benzyl-1,3-propanediamine;N-Benzyl-1,3-propylenediamine;3-(Benzylamino)propylamine;N-Benzyltrimethylenediamine;3-(Benzylamino)propanamine;N-(3-Aminopropyl)benzylamine;(3-Aminopropyl)(benzyl)amine
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CAS No:
Characteristics
38
0.7
Pale yellow Liquid
0.979±0.06 g/cm3(Predicted)
98-102 °C @ Press: 1 Torr
138.5±24.0 °C
1.532
Safety Information
III
8
UN 2735 8/PG III
Xi
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
N-Benzyl-1,3-propanediamine Use and Manufacturing
General procedure: A mixture of the appropriate diamine and aldehyde (in a 5:1 molar ratio) in toluene was refluxed in a Dean-Stark apparatus for 5 h. Following solvent removal, the residue was taken up in EtOH, NaBHGeneral procedure: Ethylenediamine (3.4 ml, 51 mmol) was added to a 100 ml eggplant type bottleAnd anhydrous methanol (38 ml). Benzaldehyde (1000 muL, 9.8 mmol) was dissolved in anhydrous methanol (5 mL).Drop by drop into eggplant type bottle, After adding, continue stirring for 30 minutes, Sodium borohydride (0.371 g, 11 mmol) was gradually added under ice-cooling and reacted overnight.After evaporation of the reaction mixture, dichloromethane (50 ml) was added, It was washed twice with saturated brine (5 ml).The organic phase is dried over sodium sulfate, After evaporation, 938 mg of N-benzyl ethylenediamine was obtained directly (colorless liquid, yield 64%).
Computed Properties
Molecular Weight:164.25
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:164.131348519
Monoisotopic Mass:164.131348519
Topological Polar Surface Area:38
Heavy Atom Count:12
Complexity:98
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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