5-Chloro-1-naphthalenamine - CAS 2750-80-3
Catalog: |
BB019596 |
Product Name: |
5-Chloro-1-naphthalenamine |
CAS: |
2750-80-3 |
Synonyms: |
5-chloro-1-naphthalenamine; 5-chloronaphthalen-1-amine |
IUPAC Name: | 5-chloronaphthalen-1-amine |
Description: | 5-Chloronaphthalen-1-amine can be used as KRas G12D inhibitors. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | C1=CC2=C(C=CC=C2Cl)C(=C1)N |
InChI: | InChI=1S/C10H8ClN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H,12H2 |
InChI Key: | JRFLIJXBMJNZQP-UHFFFAOYSA-N |
Boiling Point: | 336.4 ℃ at 760 mmHg |
Density: | 1.289 g/cm3 |
LogP: | 3.65660 |
Publication Number | Title | Priority Date |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
JP-WO2006129609-A1 | 2-Naphthylimino-5,5-disubstituted-1,3-thiazine derivatives | 20050530 |
WO-2006129609-A1 | 2-naphthylimino-5,5-disubstituted-1,3-thiazin derivative | 20050530 |
JP-WO2006080284-A1 | 2-substituted imino-1,3-oxazine derivatives | 20050125 |
WO-2006080284-A1 | 2-substituted imino-1,3-oxazine derivative | 20050125 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.034527 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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