N-Boc-1,3-propanediamine hydrochloride supplier

Name
N-BOC-1,3-DIAMINOPROPANE HYDROCHLORIDE
EINECS -0
CAS No. 127346-48-9
Article Data1
CAS DataBase
Density
Solubility
Melting Point 159-161°C
Formula C₈H₁₈N₂O₂^.HCl
Boiling Point 307.2 °C at 760 mmHg
Molecular Weight 210.704
Flash Point 139.6 °C
Transport Information
Appearance white crystalline powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (3-aminopropyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI);N-Boc-1,3-propanediamine hydrochloride;
PSA 64.35000
LogP 2.75310

N-Boc-1,3-propanediamine hydrochloride Specification

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

Product Name

N-BOC-1,3-DIAMINOPROPANE HYDROCHLORIDE

N-Boc-1,3-propanediamine hydrochloride Specification

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