tert-Butyl N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)carbamate supplier

Name
TERT-BUTYL(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)METHYLCARBAMATE
EINECS
CAS No. 956485-62-4
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇N₃O₂
Boiling Point
Molecular Weight 247.297
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms TERT-BUTYL(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)METHYLCARBAMATE
PSA 67.01000
LogP 2.97850

tert-Butyl N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)carbamate Specification

The systematic name of this chemical is tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)carbamate. With the CAS registry number 956485-62-4, the formula is C₁₃H₁₇N₃O₂. In addition, the molecular weight is 247.30.

The other characteristics of tert-Butyl N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)carbamate can be summarized as: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.49; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 67.01 Å²; (9)Index of Refraction: 1.594; (10)Molar Refractivity: 70.03 cm³; (11)Molar Volume: 206.2 cm³; (12)Polarizability: 27.76×10^-24 cm³; (13)Surface Tension: 49.9 dyne/cm; (14)Density: 1.198 g/cm³.

People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(C)OC(=O)NCc1ccnc2nccc12
2. InChI:InChI=1/C13H17N3O2/c1-13(2,3)18-12(17)16-8-9-4-6-14-11-10(9)5-7-15-11/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
3. InChIKey:HCQHANLFBAKUFB-UHFFFAOYAH
4. Std. InChI:InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-8-9-4-6-14-11-10(9)5-7-15-11/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
5. Std. InChIKey:HCQHANLFBAKUFB-UHFFFAOYSA-N

Product Name

TERT-BUTYL(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)METHYLCARBAMATE

tert-Butyl N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)carbamate Specification

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