Carbamic acid,N-(3-aminopropyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1) (127346-48-9)

The N-Boc-1,3-propanediamine hydrochloride with the CAS number 127346-48-9 is also called Carbamic acid,N-(3-aminopropyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1). The systematic name is tert-butyl (3-aminopropyl)carbamate hydrochloride (1:1). Its molecular formula is C₈H₁₈N₂O₂^.HCl. This chemical should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 64.35 Å²; (11)Enthalpy of Vaporization: 55.87 kJ/mol; (12)Vapour Pressure: 0.000546 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CC(C)(C)OC(=O)NCCCN
(2)InChI: InChI=1/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5-9;/h4-6,9H2,1-3H3,(H,10,11);1H
(3)InChIKey: WUXOJNUZYOFBMI-UHFFFAOYAB