Benzenepropanamine, hydrochloride

Base Information

• Chemical Name: Benzenepropanamine, hydrochloride
• CAS No.: 30684-05-0
• Molecular Formula: C9H13 N . Cl H
• Molecular Weight: 171.67
• Hs Code.: 2921499090
• NSC Number: 211733
• UNII: 73SG6SV34I
• DSSTox Substance ID: DTXSID90952928
• Wikidata: Q27266203
• Mol file: 30684-05-0.mol

Synonyms:3-phenylpropan-1-amine hydrochloride;30684-05-0;Benzenepropanamine, hydrochloride;Phenpropylamine hydrochlolride;3-phenylpropan-1-amine;hydrochloride;NSC-211733;PROPYLAMINE, 3-PHENYL-, HYDROCHLORIDE;UNII-73SG6SV34I;73SG6SV34I;3-Phenylpropylamine, hydrochloride;C(CCN)c1ccccc1;benzenepropanamine hydrochloride;DTXSID90952928;ISOBENZIDRINE HYDROCHLORIDE;NSC211733;EN300-7713266;3-Phenylpropan-1-amine--hydrogen chloride (1/1);Q27266203

Chemical Property of Benzenepropanamine, hydrochloride

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 219-221 °C
• Boiling Point: 217.3°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 26.02000
• Density: 0.949g/cm³
• LogP: 3.08020
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 171.0814771
• Heavy Atom Count: 11
• Complexity: 74.8

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCN.Cl

Technology Process of Benzenepropanamine, hydrochloride

There total 16 articles about Benzenepropanamine, hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-Phenylpropan-1-amine (2038-57-5) → 3-phenylpropylamine hydrochloride (30684-05-0)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 2h; Reflux;

DOI:10.1080/00397911.2015.1096943

Reference yield: 97.0%

cinnamonitrile (4360-47-8) → 3-phenylpropylamine hydrochloride (30684-05-0)

Guidance literature:

cinnamonitrile; With ammonium hydroxide; hydrogen; cobalt(II) diacetate tetrahydrate; zinc trifluoromethanesulfonate; zinc; In methanol; at 120 ℃; for 15h; under 30003 Torr; Sealed tube; Autoclave;

With hydrogenchloride; In diethyl ether;

DOI:10.1021/acs.joc.9b01544

Reference yield: 96.0%

3-phenylpropylmagnesium bromide (1462-75-5) → 3-phenylpropylamine hydrochloride (30684-05-0)

Guidance literature:

3-phenylpropylmagnesium bromide; With 3,3',5,5'-tetrakis(trifluoromethyl)benzophenone O-p-tolylsulfonyloxime; In diethyl ether; toluene; at 25 ℃; for 0.5h;

With hydrogenchloride; In water; acetone; at 25 ℃; for 0.5h;

DOI:10.1246/bcsj.72.1869

upstream raw materials:

N,N-dibenzyl-N-(3-phenylpropyl)amine

3-Phenyl-propyl-phosphorimidic acid triethyl ester

3-phenylpropylmagnesium bromide

(3-azidopropyl)benzene

Downstream raw materials:

2-[(3-Phenyl-propylamino)-methyl]-3,4-dihydro-2H-naphthalen-1-one

2,6-bis-(3-phenyl-propylamino)-heptane-dinitrile

3-phenylpropyl isothiocyanate