2-Nitrophenethylamine Hydrochloride - CAS 861337-74-8
Catalog: |
BB037832 |
Product Name: |
2-Nitrophenethylamine Hydrochloride |
CAS: |
861337-74-8 |
Synonyms: |
2-(2-nitrophenyl)ethanamine;hydrochloride; 2-(2-nitrophenyl)ethanamine;hydrochloride |
IUPAC Name: | 2-(2-nitrophenyl)ethanamine;hydrochloride |
Description: | 2-Nitrophenethylamine Hydrochloride (CAS# 861337-74-8) is used in preparation of diaminopyrimidines as MTH-1 inhibitors for treament of cancer.2-Nitrophenethylamine Hydrochloride is used in synthesis of o-Nitrohydrocinnamic acid. |
Molecular Weight: | 202.64 |
Molecular Formula: | C8H11ClN2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)CCN)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C8H10N2O2.ClH/c9-6-5-7-3-1-2-4-8(7)10(11)12;/h1-4H,5-6,9H2;1H |
InChI Key: | WOSOJVABEIZQDC-UHFFFAOYSA-N |
LogP: | 3.12150 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012170554-A1 | N-biphenylmethylindole modulators of pparg | 20110606 |
EP-2220026-A2 | Inhibitors of 17beta-hydroxysteroid dehydrogenase | 20071120 |
WO-2009066072-A2 | Inhibitors of 17beta-hydroxysteroid dehydrogenase | 20071120 |
CA-2528367-A1 | A1 adenosine receptor antagonists | 20030609 |
EP-1636230-A2 | A1 adenosine receptor antagonists | 20030609 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0509053 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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