3-Nitrophenethylamine hydrochloride - CAS 19008-62-9
Catalog: |
BB014695 |
Product Name: |
3-Nitrophenethylamine hydrochloride |
CAS: |
19008-62-9 |
Synonyms: |
2-(3-nitrophenyl)ethanamine;hydrochloride |
IUPAC Name: | 2-(3-nitrophenyl)ethanamine;hydrochloride |
Description: | 3-Nitrophenethylamine hydrochloride (CAS# 19008-62-9) is a useful research chemical. |
Molecular Weight: | 202.64 |
Molecular Formula: | C8H11ClN2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CCN.Cl |
InChI: | InChI=1S/C8H10N2O2.ClH/c9-5-4-7-2-1-3-8(6-7)10(11)12;/h1-3,6H,4-5,9H2;1H |
InChI Key: | IZWJXFFJQRETII-UHFFFAOYSA-N |
Appearance: | White to tan powder or crystals |
MDL: | MFCD08059237 |
LogP: | 3.12150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018325445-A1 | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof | 20170831 |
CA-3074013-A1 | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and uses thereof | 20170831 |
KR-20200047627-A | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof | 20170831 |
WO-2019046778-A1 | INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP-1) AND USES THEREOF | 20170831 |
BR-112020004209-A2 | ectonucleotide piophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and their use | 20170831 |
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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