CAS No.2941-20-0,1-Phenylpropan-1-amine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2941-20-0
Name:	1-Phenylpropan-1-amine
Article Data:	110

Formula:	C₉H₁₃N
Molecular Weight:	135.209
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;
Density:	0.944 g/cm³
Melting Point:	116°C (estimate)
Boiling Point:	203.9 °C at 760 mmHg
Flash Point:	85.1 °C
Hazard Symbols:	CXi
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 2735 8/PG 2
PSA:	26.02000
LogP:	2.79670

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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.