1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, hydrochloride (1:4) supplier

Name
1,3-PROPANEDIAMINE,N,N'-BIS(2-AMINOETHYL), TETRAHYDROCHLORIDE
EINECS
CAS No. 73082-39-0
Density
Solubility
Melting Point
Formula C₇H₂₄Cl₄N₄
Boiling Point 287 °C at 760 mmHg
Molecular Weight 306.1
Flash Point 156.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Propanediamine,N,N'-bis(2-aminoethyl)-, tetrahydrochloride (9CI);1,4,8,11-Tetraazaundecane, tetrahydrochloride;N,N'-bis(2-ammonioethyl)propane-1,3-diaminium tetrachloride;
PSA 76.10000
LogP 3.86350

1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, hydrochloride (1:4) Specification

The 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, hydrochloride (1:4), with the CAS registry number 73082-39-0, is also known as 1,4,8,11-Tetraazaundecane, tetrahydrochloride. This chemical's molecular formula is C₇H₂₄Cl₄N₄ and molecular weight is 306.1. What's more, its systematic name is N,N'-bis(2-ammonioethyl)propane-1,3-diaminium tetrachloride.

Physical properties of 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, hydrochloride (1:4) are: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.32; (4)ACD/LogD (pH 7.4): -6.11; (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: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 156.5 °C; (14)Enthalpy of Vaporization: 52.61 kJ/mol; (15)Boiling Point: 287 °C at 760 mmHg; (16)Vapour Pressure: 0.00256 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].C([NH2+]CCC[NH2+]CC[NH3+])C[NH3+]
(2)InChI: InChI=1/C7H20N4.4ClH/c8-2-6-10-4-1-5-11-7-3-9;;;;/h10-11H,1-9H2;4*1H
(3)InChIKey: KHXNPWZJKALHOF-UHFFFAOYAK

Product Name

1,3-PROPANEDIAMINE,N,N'-BIS(2-AMINOETHYL), TETRAHYDROCHLORIDE

1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, hydrochloride (1:4) Specification

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