-
Name
S-ATBA
- EINECS 1806241-263-5
- CAS No. 109010-60-8
- Article Data7
- CAS DataBase
- Density 1.133 g/cm3
- Solubility DMSO: ~34 mg/mL, soluble
- Melting Point 115-116 ºC
- Formula C16H22N2O3
- Boiling Point 483.2 ºC at 760 mmHg
- Molecular Weight 290.362
- Flash Point 246 ºC
- Transport Information
- Appearance off-white solid
- Safety 22-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (S)-1-[(tert-Butyloxycarbonyl)methyl]-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one;(S)-1,1-Dimethylethyl3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benz[b]azepin-1-acetate;1H-1-Benzazepine-1-aceticacid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (S)-;
- PSA 72.63000
- LogP 2.40010
S-ATBA Chemical Properties
IUPAC name: tert-Butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
Molecular Formula: C16H22N2O3
Molecular Weight: 290.36 g/mol
Surface Tension: 42.4 dyne/cm
Index of Refraction: 1.535
Density: 1.133 g/cm3
Flash Point: 246 °C
Melting point: 115-116 °C
Appearance: Off-White Solid
Solubility DMSO: ~34 mg/mL, soluble
Enthalpy of Vaporization: 74.82 kJ/mol
Boiling Point: 483.2 °C at 760 mmHg
Vapour Pressure: 1.71E-09 mmHg at 25 °C
Following is the structure of S-ATBA (CAS NO.109010-60-8):
Product Category of S-ATBA (CAS NO.109010-60-8): Intermediates & Fine Chemicals; Pharmaceuticals
SMILES: O=C(OC(C)(C)C)CN2c1ccccc1CC[C@@H](C2=O)N
InChI: InChI=1/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
InChIKey: QTEDVVHLTMELTB-LBPRGKRZBC
S-ATBA Uses
S-ATBA (CAS NO.109010-60-8) can be used as an intermediate in the synthesis of benazepril .
S-ATBA Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: CX7065000
S-ATBA Specification
S-ATBA , its cas register number is 109010-60-8. It also can be called (S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benazepine-1-acetic acid 1,1-dimethyl ethyl ester ; and tert-Butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-(3S)-benzazepine-1-acetate .
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