| CAS Number | 847744-11-0 |
| Catalog Number | AG00G7IC |
| Chemical Name | [(4-fluorophenyl)methyl](pentyl)amine |
| IUPAC Name | N-[(4-fluorophenyl)methyl]pentan-1-amine |
| InChI | InChI=1S/C12H18FN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3 |
| InChI Key | XVCVNVRAIYQXBP-UHFFFAOYSA-N |
| MDL Number | MFCD04574604 |
| Molecular Formula | C12H18FN |
| Molecular Weight | 195.2764 |
| SMILES | CCCCCNCC1=CC=C(F)C=C1 |
| Synonyms | [(4-fluorophenyl)methyl](pentyl)amine,
N-(4-fluorobenzyl)-N-pentylamine,
847744-11-0,
N-[(4-fluorophenyl)methyl]pentan-1-amine,
AC1NG0B9,
AC1Q2WL6,
4-Fluoro-N-n-pentylbenzylamine,
CTK6E1466,
ZINC4204892,
MFCD04574604,
AKOS000231844,
4-Fluoro-N-n-pentylbenzylaMine, 97%,
MCULE-5307907000,
NE18864,
EN300-11871,
Z56175279,
CID4716668,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.281g/mol |
| Monoisotopic Mass | 195.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number