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