-
Name
3-(AMINOMETHYL)-N,N-DIMETHYLTETRAHYDRO-3-THIOPHENAMINE
- EINECS
- CAS No. 176445-79-7
- Article Data1
- CAS DataBase
- Density 1.06 /cm3
- Solubility
- Melting Point
- Formula C7H16N2S
- Boiling Point 244.8 °C at 760 mmHg
- Molecular Weight 160.283
- Flash Point 101.9 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
C:Corrosive;
-
Molecular Structure
- Hazard Symbols R34:Causes burns.;
- Synonyms 3-(AMINOMETHYL)-N,N-DIMETHYLTETRAHYDRO-3-THIOPHENAMINE;3-(Aminomethyl)-N,N-dimethyltetrahydrothiophen-3-amine
- PSA 54.56000
- LogP 1.08270
3-(Aminomethyl)-N,N-dimethyltetrahydrothiophen-3-amine Specification
The cas register number of 3-(Aminomethyl)-N,N-dimethyltetrahydrothiophen-3-amine is 176445-79-7. The Systematic name about this chemical is 3-(aminomethyl)-N,N-dimethyltetrahydrothiophen-3-amine. The Molecular Formula about this chemical is C7H16N2S.
Physical properties about 3-(Aminomethyl)-N,N-dimethyltetrahydrothiophen-3-amine are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): -3.72; (3)ACD/LogD (pH 7.4): -2.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.78Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 47.93 cm3; (14)Molar Volume: 150.6 cm3; (15)Polarizability: 19x0-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Enthalpy of Vaporization: 48.19 kJ/mol; (18)Boiling Point: 244.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0297 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S1CCC(N(C)C)(CN)C1
(2)InChI: InChI=1/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3
(3)InChIKey: QSPJOBDYLWKZPW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3
(5)Std. InChIKey: QSPJOBDYLWKZPW-UHFFFAOYSA-N
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