CAS No.71326-30-2,N,N-bis(3-aminopropyl)-N',N'-dimethylpropane-1,3-diamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71326-30-2
Name:	N,N-bis(3-aminopropyl)-N',N'-dimethylpropane-1,3-diamine

Formula:	C₁₁H₂₈N₄
Molecular Weight:	216.37
Synonyms:	1,3-Propanediamine,N,N-bis(3-aminopropyl)-N',N'-dimethyl- (9CI);
EINECS:	275-332-4
Density:	0.933 g/cm³
Boiling Point:	296.692 °C at 760 mmHg
Flash Point:	104.931 °C
PSA:	58.52000
LogP:	1.33830

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Specification

The 1,3-Propanediamine,N¹,N¹-bis(3-aminopropyl)-N³,N³-dimethyl-, with the CAS registry number 71326-30-2, is also known as N,N-Bis(3-aminopropyl)-N',N'-dimethyl-1,3-propanediamine. Its EINECS registry number is 275-332-4. This chemical's molecular formula is C₁₁H₂₈N₄ and molecular weight is 216.37. What's more, its IUPAC name is called N'-(3-Aminopropyl)-N'-[3-(dimethylamino)propyl]propane-1,3-diamine.

Physical properties about 1,3-Propanediamine,N1,N1-bis(3-aminopropyl)-N3,N3-dimethyl- are: (1)ACD/LogP: -0.233; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.38; (4)ACD/LogD (pH 7.4): -5.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 58.52 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 67.524 cm³; (15)Molar Volume: 231.971 cm³; (16)Polarizability: 26.768×10^-24cm³; (17)Surface Tension: 38.87 dyne/cm; (18)Density: 0.933 g/cm³; (19)Flash Point: 104.931 °C; (20)Enthalpy of Vaporization: 53.649 kJ/mol; (21)Boiling Point: 296.692 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(C)(CCCN(CCCN)CCCN)C
(2) InChI: InChI=1S/C11H28N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-13H2,1-2H3
(3) InChIKey: NDYOVCQABQIDNF-UHFFFAOYSA-N