| CAS Number | 1049773-05-8 |
| Catalog Number | AG00J41F(AGN-PC-0WB7LJ) |
| Chemical Name | N-(2-fluorobenzyl)-1-butanamine hydrochloride |
| IUPAC Name | N-[(2-fluorophenyl)methyl]butan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H16FN.ClH/c1-2-3-8-13-9-10-6-4-5-7-11(10)12;/h4-7,13H,2-3,8-9H2,1H3;1H |
| InChI Key | CVGFNCVTPYFDHF-UHFFFAOYSA-N |
| MDL Number | MFCD07110015 |
| Molecular Formula | C11H17ClFN |
| Molecular Weight | 217.7108 |
| SMILES | C1(=CC=CC=C1F)CNCCCC.Cl |
| Synonyms | butyl[(2-fluorophenyl)methyl]amine hydrochloride,
1049773-05-8,
N-(2-Fluorobenzyl)-1-butanamine hydrochloride,
N-(2-Fluorobenzyl)butan-1-amine hydrochloride,
AC1Q39PO,
KS-00001LGT,
MFCD07110015,
AKOS027426008,
MCULE-7570607290,
NE43062,
EN300-65508,
Z1695709425,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.712g/mol |
| Monoisotopic Mass | 217.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number