Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine |
EINECS | N/A |
CAS No. | 57756-36-2 | Density | 1.104 g/cm3 |
PSA | 32.34000 | LogP | 1.53650 |
Solubility | N/A | Melting Point |
85 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3)) |
Formula | C11H14N2O | Boiling Point | 393.424 °C at 760 mmHg |
Molecular Weight | 190.245 | Flash Point | 191.736 °C |
Transport Information | N/A | Appearance | pale yellow powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone;1-(2,3-Dihydro-1H-benzo[e][1,4]diazepin-4(5H)-yl)ethanone; |
Article Data | 8 |
The CAS registry number of 4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is 57756-36-2. The IUPAC name is 1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone. In addition, the molecular formula is C11H14N2O and the molecular weight is 190.24. What's more, it is a pale yellow powder and should be stored in a cool and dry place.
Physical properties about 4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 129; (7)ACD/KOC (pH 7.4): 135; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.34 Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 54.547 cm3; (13)Molar Volume: 172.347 cm3; (14)Polarizability: 21.624 ×10-24cm3; (15)Surface Tension: 39.629 dyne/cm; (16)Density: 1.104 g/cm3; (17)Flash Point: 191.736 °C; (18)Enthalpy of Vaporization: 64.331 kJ/mol; (19)Boiling Point: 393.424 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N1CCNc2ccccc2C1
(2)Std. InChI: InChI=1S/C11H14N2O/c1-9(14)13-7-6-12-11-5-3-2-4-10(11)8-13/h2-5,12H,6-8H2,1H3
(3)Std. InChIKey: MXBURCRAYKPWBR-UHFFFAOYSA-N