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3855-32-1

Basic Information
CAS No.: 3855-32-1
Name: 1,3-Propanediamine,N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-
Molecular Structure:
Molecular Structure of 3855-32-1 (1,3-Propanediamine,N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-)
Formula: C11H27N3
Molecular Weight: 201.35
Synonyms: Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-(7CI,8CI);3,3'-Bis(dimethylamino)-N-methyldipropylamine;3,3'-Bis(dimethylaminopropyl)methylamine;N,N,N',N',N''-Pentamethyliminobis(propylamine);N,N,N',N'',N''-Pentamethyldipropylenetriamine;N-Methyl-N,N-bis(3-dimethylaminopropyl)amine;N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine;NSC 123346;Pentamethyliminobispropylamine;Polycat 77;
EINECS: 223-362-3
Density: 0,868 g/cm3
Melting Point:
Boiling Point: 239.2 °C at 760 mmHg
Flash Point: 80.9 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes: 34
Safety: 26-36/37/39
Transport Information:
PSA: 9.72000
LogP: 0.82160
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Specification

The 1,3-Propanediamine,N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-, with CAS registry number 3855-32-1, has the systematic name of N-[3-(dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine. Besides this, it is also called 2,6,10-Trimethyl-2,6,10-triazaundecane. And the chemical formula of this chemical is C11H27N3. What's more, its EINECS is 223-362-3.

Physical properties of 1,3-Propanediamine,N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.52; (4)ACD/LogD (pH 7.4): -3.08; (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: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 64.17 cm3; (15)Molar Volume: 231.8 cm3; (16)Polarizability: 25.44×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.868 g/cm3; (19)Flash Point: 80.9 °C; (20)Enthalpy of Vaporization: 47.61 kJ/mol; (21)Boiling Point: 239.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0406 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,5,9-triaza-cyclododecane and formaldehyde. This reaction will need reagent reagent formic acid. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
The 1,3-Propanediamine,N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(C)(CCCN(CCCN(C)C)C)C
(2)InChI: InChI=1/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3
(3)InChIKey: SKCNNQDRNPQEFU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3
(5)Std. InChIKey: SKCNNQDRNPQEFU-UHFFFAOYSA-N