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| CAS No.: | 933738-55-7 |
|---|---|
| Name: | N1,N1,3-TRIMETHYLBUTANE-1,3-DIAMINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H18N2 |
| Molecular Weight: | 130.233 |
| Synonyms: | N<sup>1</sup>,N<sup>1</sup>,3-Trimethylbutane-1,3-diamine;LogP |
| Density: | 0.839 g/cm3 |
| Boiling Point: | 158.1 °C at 760 mmHg |
| Flash Point: | 46.4 °C |
| PSA: | 29.26000 |
| LogP: | 1.37570 |
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Specification
The IUPAC name of this chemical is N1,N1,3-Trimethyl-1,3-butanediamine. With the CAS registry number is 933738-55-7. In addition, the molecular formula is C7H18N2 and the molecular weight is 130.23. It should be stored in a cool and dry place.
Physical properties about N1,N1,3-Trimethyl-1,3-butanediamine are: (1)ACD/LogP: 0.40; (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: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 41.7 cm3; (13)Molar Volume: 155 cm3; (14)Polarizability: 16.53 ×10-24cm3; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 0.839 g/cm3; (17)Flash Point: 46.4 °C; (18)Enthalpy of Vaporization: 39.47 kJ/mol; (19)Boiling Point: 158.1 °C at 760 mmHg; (20)Vapour Pressure: 2.67 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(CCN(C)C)N
(2)InChI: InChI=1/C7H18N2/c1-7(2,8)5-6-9(3)4/h5-6,8H2,1-4H3
(3)InChIKey: XJZJEGHBTQCDKG-UHFFFAOYAX