| CAS Number | 1050885-07-8 |
| Catalog Number | AG019MBX |
| Chemical Name | 1-Chloro-3-(morpholin-4-yl)isoquinoline |
| IUPAC Name | 4-(1-chloroisoquinolin-3-yl)morpholine |
| InChI | InChI=1S/C13H13ClN2O/c14-13-11-4-2-1-3-10(11)9-12(15-13)16-5-7-17-8-6-16/h1-4,9H,5-8H2 |
| InChI Key | CCEMKUCNUCJWEN-UHFFFAOYSA-N |
| MDL Number | MFCD10686746 |
| Molecular Formula | C13H13ClN2O |
| Molecular Weight | 248.7081 |
| SMILES | ClC1=C2C(C=CC=C2)=CC(N2CCOCC2)=N1 |
| Synonyms | 1-chloro-3-morpholin-4-ylisoquinoline,
4-(1-chloroisoquinolin-3-yl)morpholine,
1-chloro-3-(morpholin-4-yl)isoquinoline,
1050885-07-8,
AC1Q3HX3,
SCHEMBL17506310,
CTK6H3792,
CCEMKUCNUCJWEN-UHFFFAOYSA-N,
ZINC12481131,
AKOS023166429,
MCULE-4196672476,
NE52595,
EN300-35707,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.71g/mol |
| Monoisotopic Mass | 248.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number