| CAS Number | 1042798-87-7 |
| Catalog Number | AG01AH7M |
| Chemical Name | 3-butyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)urea |
| IUPAC Name | 1-butyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea |
| InChI | InChI=1S/C14H21N3O/c1-2-3-9-16-14(18)17-13-8-4-7-12-11(13)6-5-10-15-12/h4,7-8,15H,2-3,5-6,9-10H2,1H3,(H2,16,17,18) |
| InChI Key | MYFUMNJIXBEHFF-UHFFFAOYSA-N |
| MDL Number | MFCD11172060 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | CCCCNC(NC1=C2C(NCCC2)=CC=C1)=O |
| Synonyms | 3-butyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)urea,
1042798-87-7,
ZINC20256860,
AKOS008113426,
MCULE-2084538354,
NE54252,
EN300-73929,
Z1187844721,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168462g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.34g/mol |
| Monoisotopic Mass | 247.168462g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number