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1-Phenylpropan-1-amine

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Name

1-Phenylpropan-1-amine

EINECS N/A
CAS No. 2941-20-0 Density 0.944 g/cm3
PSA 26.02000 LogP 2.79670
Solubility N/A Melting Point 116°C (estimate)
Formula C9H13N Boiling Point 203.9 °C at 760 mmHg
Molecular Weight 135.209 Flash Point 85.1 °C
Transport Information UN 2735 8/PG 2 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 22-34
Molecular Structure Molecular Structure of 2941-20-0 (1-Phenylpropan-1-amine) Hazard Symbols CorrosiveCIrritantXi
Synonyms

Benzylamine,a-ethyl- (6CI,7CI,8CI);(?à)-1-Ethylbenzylamine;(?à)-1-Phenylpropylamine;(?à)-a-Ethylbenzylamine;(?à)-a-Phenylpropylamine;1-Phenyl-1-propanamine;1-Phenylpropylamine;1-Propanamine, 1-phenyl-;a-Ethylbenzenemethanamine;a-Ethylbenzylamine;a-Phenylpropylamine;

Article Data 110

1-Phenylpropan-1-amine Specification

The cas register number of 1-Phenylpropan-1-amine is 2941-20-0. It also can be called as  alpha-Ethylbenzylamine and the IUPAC Name about this chemical is 1-phenylpropan-1-amine. It belongs to the following product categories, such as Anilines, Aromatic Amines and Nitro Compounds, Amines, C9 to C10, Nitrogen Compounds and so on. Classification Code about this chemical is Drug / Therapeutic Agent.

Physical properties about 1-Phenylpropan-1-amine are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): -1.1; (3)ACD/LogD (pH 7.4): -0.28; (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): 1.57; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 43.97 cm3; (14)Molar Volume: 143.1 cm3; (15)Polarizability: 17.43x10-24cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Enthalpy of Vaporization: 44.01 kJ/mol; (18)Boiling Point: 203.9 °C at 760 mmHg; (19)Vapour Pressure: 0.272 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-propan-1-ol. This reaction is a kind of Solid phase reaction//Mitsunobu reaction//Decarboxylation. This reaction will need reagent resin-bound CH2OCONHCOOtBu, PPh3P, DEAD, TFA and solvent tetrahydrofuran, 1,2-dichloro-ethane. The reaction time is 12 hour(s)//4 hour(s). The yield is about 85%.

Uses of p-Chloropropiophenone: it can be used to produce dimethyl-(1-phenyl-propyl)-amine with formaldehyde at Heating. This reaction will need reagent formic acid with reaction time of 24 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it can causes burns.When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: NC(c1ccccc1)CC
(2)InChI: InChI=1/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3
(3)InChIKey: AQFLVLHRZFLDDV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3
(5)Std. InChIKey: AQFLVLHRZFLDDV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 300mg/kg (300mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
guinea pig LDLo parenteral 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
guinea pig LDLo subcutaneous 160mg/kg (160mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.

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