4-Boc-7-amino-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine supplier

Name
7-AMINO-4-BOC-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
EINECS
CAS No. 886364-45-0
Density 1.142 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁N₃O₂
Boiling Point 442.4 °C at 760 mmHg
Molecular Weight 263.33544
Flash Point 221.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-1,4-Benzodiazepine-4-carboxylic acid, 7-amino-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester;4-Boc-7-amino-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
PSA 67.59000
LogP 3.08850

4-Boc-7-amino-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine Specification

This chemical is called 4H-1,4-Benzodiazepine-4-carboxylic acid, 7-amino-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 7-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate. With the molecular formula of C₁₄H₂₁N₃O₂, its molecular weight is 263.33544. The CAS registry number of this chemical is 886364-45-0.

Other characteristics of the 4H-1,4-Benzodiazepine-4-carboxylic acid, 7-amino-1,2,3,5-tetrahydro- can be summarised as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.3 ; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 67.59 Å²; (8)Index of Refraction: 1.558; (9)Molar Refractivity: 74.39 cm³; (10)Molar Volume: 230.5 cm³; (11)Polarizability: 29.49×10^-24cm³; (12)Surface Tension: 45 dyne/cm; (13)Density: 1.142 g/cm³; (14)Flash Point: 221.4 °C; (15)Enthalpy of Vaporization: 69.99 kJ/mol; (16)Boiling Point: 442.4 °C at 760 mmHg; (17)Vapour Pressure: 5.02E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1Cc2cc(N)ccc2NCC1
2.InChI: InChI=1/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-16-12-5-4-11(15)8-10(12)9-17/h4-5,8,16H,6-7,9,15H2,1-3H3
3.InChIKey: DYBHUNQSDZAALX-UHFFFAOYAL

Product Name

7-AMINO-4-BOC-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

4-Boc-7-amino-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine Specification

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