2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile - CAS 301358-46-3
Catalog: |
BB020465 |
Product Name: |
2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile |
CAS: |
301358-46-3 |
Synonyms: |
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile |
IUPAC Name: | 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile |
Description: | 2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile (CAS# 301358-46-3 ) is a useful research chemical. |
Molecular Weight: | 300.32 |
Molecular Formula: | C17H12N6 |
Canonical SMILES: | C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)N)N)C#N |
InChI: | InChI=1S/C17H12N6/c18-9-12-15-17(22-14-4-2-1-3-13(14)21-15)23(16(12)20)11-7-5-10(19)6-8-11/h1-8H,19-20H2 |
InChI Key: | UPPPLIFDTZWWPA-UHFFFAOYSA-N |
Melting Point: | >300 ℃(lit.) |
Purity: | 95 % |
MDL: | MFCD00398567 |
LogP: | 3.77218 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2011048946-A1 | Method for finger-printing heparins | 20080228 |
US-8262881-B2 | Method for finger-printing heparins | 20080228 |
WO-2009108845-A2 | Method for finger-printing heparins | 20080228 |
Complexity: | 479 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.11234441 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.11234441 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 107 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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