| CAS Number | 62924-65-6 |
| Catalog Number | AG00F5MU(AGN-PC-0LG045) |
| Chemical Name | [(2-Chloro-6-fluorophenyl)methyl](propyl)amine |
| IUPAC Name | N-[(2-chloro-6-fluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3 |
| InChI Key | LBJTUTUDKUGWEZ-UHFFFAOYSA-N |
| MDL Number | MFCD00053446 |
| Molecular Formula | C10H13ClFN |
| Molecular Weight | 201.6683 |
| SMILES | CCCNCC1=C(Cl)C=CC=C1F |
| Synonyms | [(2-chloro-6-fluorophenyl)methyl](propyl)amine,
62924-65-6,
N-[(2-chloro-6-fluorophenyl)methyl]propan-1-amine,
AC1NG059,
AC1Q2Y57,
SCHEMBL11520379,
ZINC2169359,
MFCD00053446,
AKOS000194584,
MCULE-1336875834,
NE24120,
EN300-32228,
N-(N-PROPYL)-2-CHLORO-6-FLUOROBENZYLAMINE,
A1-06017,
Z57327235,
N-(2-chloro-6-fluorobenzyl)-N-propylamine, AldrichCPR,
CID4716596,
N- -2-CHLORO-6-FLUOROBENZYLAMINE,
N-(2-chloro-6-fluorobenzyl)propan-1-amine,
N-[(2-chloro-6-fluoro-phenyl)methyl]propan-1-amine,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.669g/mol |
| Monoisotopic Mass | 201.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number