CAS No.57756-36-2,4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57756-36-2
Name:	4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Article Data:	8

Formula:	C₁₁H₁₄N₂O
Molecular Weight:	190.245
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;
Density:	1.104 g/cm³
Melting Point:	85 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point:	393.424 °C at 760 mmHg
Flash Point:	191.736 °C
Appearance:	pale yellow powder
PSA:	32.34000
LogP:	1.53650

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Specification

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