4-Boc-8-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine supplier

Name
4-BOC-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
EINECS
CAS No. 886364-27-8
Density 1.177 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉ClN₂O₂
Boiling Point 397.5 °C at 760 mmHg
Molecular Weight 282.77
Flash Point 194.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Boc-8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine;tert-butyl 8-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate;
PSA 41.57000
LogP 3.57850

4-Boc-8-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine Specification

This chemical is called 4H-1,4-Benzodiazepine-4-carboxylic acid, 8-chloro-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester, and it can also be named as 4-Boc-8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]. With the molecular formula of C₁₄H₁₉ClN₂O₂, its molecular weight is 282.77. The CAS registry number of this chemical is 886364-27-8.

Other characteristics of the 4H-1,4-Benzodiazepine-4-carboxylic acid, 8-chloro-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.14 ; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 41.57 Å²; (9)Index of Refraction: 1.537; (10)Molar Refractivity: 75.05 cm³; (11)Molar Volume: 240.2 cm³; (12)Polarizability: 29.75×10^-24cm³; (13)Surface Tension: 40.5 dyne/cm; (14)Density: 1.177 g/cm³; (15)Flash Point: 194.2 °C; (16)Enthalpy of Vaporization: 64.8 kJ/mol; (17)Boiling Point: 397.5 °C at 760 mmHg; (18)Vapour Pressure: 1.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1Cc2ccc(Cl)cc2NCC1
2.InChI: InChI=1/C14H19ClN2O2/c1-14(2,3)19-13(18)17-7-6-16-12-8-11(15)5-4-10(12)9-17/h4-5,8,16H,6-7,9H2,1-3H3
3.InChIKey: BRVJAQILUHAISO-UHFFFAOYAX

Product Name

4-BOC-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

4-Boc-8-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine Specification

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