N-PROPYLAMINE HYDROCHLORIDE

The 1-Propanamine,hydrochloride (1:1), with the CAS registry number 556-53-6, is also known as 1-Propylammonium chloride. Its EINECS number is 209-129-9. The molecular formula of this chemical is C₃H₁₀ClN and molecular weight is 95.57. What's more, its systematic name is Propan-1-amine hydrochloride (1:1). Its classification code is Drug/Therapeutic Agent.

Physical properties of 1-Propanamine,hydrochloride (1:1) are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -2.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Enthalpy of Vaporization: 29.55 kJ/mol; (14)Boiling Point: 46.9 °C at 760 mmHg; (15)Vapour Pressure: 329 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-nitro-propane. This reaction will need reagents hydrazinium monoformate, Zn and solvent H₂O with the reaction time of 2 minutes. The yield is about 75%.

Uses of 1-Propanamine,hydrochloride (1:1): it can be used to produce propyl-amidophosphoryl chloride with heating. It will need reagent POCl₃ with the reaction time of 14 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. What's more, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCN.Cl
(2)InChI: InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
(3)InChIKey: PYNUOAIJIQGACY-UHFFFAOYSA-N

The toxicity data is as follows: 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1545mg/kg (1545mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. Link to PubMed