Basic information
- Name:
Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester
- Superlist Name:
- Tinoridine
- CAS No.:
24237-54-5
- Molecular Structure:
![Molecular Structure of 24237-54-5 (Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester)](http://www.lookchem.com/300w/2010/0620/24237-54-5.jpg)
- Formula:
- C17H20N2O2S
- Molecular Weight:
- 316.42
- Synonyms:
- Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-6-benzyl-4,5,6,7-tetrahydro-, ethyl ester (8CI);2-Amino-3-ethoxycarbonyl-6-benzyl-4,5,6,4-tetrahydrothieno[2,3-c]pyridine;NSC158555;Y 3642;
- EINECS:
- 246-102-0
- Density:
- 1.256 g/cm3
- Melting Point:
- 112-113 °C
- Boiling Point:
- 493.5 °C at 760 mmHg
- Flash Point:
- 252.3 °C
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Chemistry
The Molecular Structure of Tinoridine (CAS NO.24237-54-5):
Molecular Formula: C17H20N2O2S
Molecular Weight: 316.42g/mol
EINECS: 246-102-0
Freely Rotating Bonds: 6
Polar Surface Area: 61.02 Å2
Index of Refraction: 1.635
Molar Refractivity: 90.18 cm3
Molar Volume: 251.7 cm3
Polarizability: 35.75× 10-24cm3
Surface Tension: 56.2 dyne/cm
Density: 1.256 g/cm3
Flash Point: 252.3 °C
Enthalpy of Vaporization: 76.06 kJ/mol
Boiling Point: 493.5 °C at 760 mmHg
Vapour Pressure: 7E-10 mmHg at 25°C
InChI
InChI=1/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
Smiles
C1[N@@](Cc2c(C1)c(C(OCC)=O)c(N)s2)Cc1ccccc1
Other names: 2-Amino-3-aethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine ; 2-Amino-3-ethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine ; 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylicacidet ; 3-C)Pyridine-3-carboxylicacid,4,5,6,7-tetrahydro-2-amino-6-benzyl-thieno( ; Tinoridine ; Y-3642 ; 2-Amino-3-ethoxy-carbonyl-6-benzyl-4,5,6,7-tetrahydrothien. ; Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Uses
Tinoridine (CAS NO.24237-54-5) can be used in organic synthesis.
Toxicity Data With Reference
| 1. | mouse LD50: 1600mg/kg | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 998, 1970. | ||
| 2. | mouse LD50: 5400mg/kg | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 998, 1970. | ||
| 3. | rat LD50: 1250mg/kg | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 998, 1970. | ||
| 4. | rat LD50: > 10200mg/kg | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 998, 1970. |