| CAS Number | 1158359-45-5 |
| Catalog Number | AG00J431(AGN-PC-0WB7SR) |
| Chemical Name | [(4-Fluorophenyl)methyl](prop-2-yn-1-yl)amine hydrochloride |
| IUPAC Name | N-[(4-fluorophenyl)methyl]prop-2-yn-1-amine;hydrochloride |
| InChI | InChI=1S/C10H10FN.ClH/c1-2-7-12-8-9-3-5-10(11)6-4-9;/h1,3-6,12H,7-8H2;1H |
| InChI Key | VTYCQIYBMHPAAX-UHFFFAOYSA-N |
| MDL Number | MFCD07170806 |
| Molecular Formula | C10H11ClFN |
| Molecular Weight | 199.6524 |
| SMILES | C#CCNCC1=CC=C(C=C1)F.Cl |
| Synonyms | 1158359-45-5,
N-(4-Fluorobenzyl)prop-2-yn-1-amine hydrochloride,
[(4-fluorophenyl)methyl](prop-2-yn-1-yl)amine hydrochloride,
EN300-56956,
N-(4-Fluorobenzyl)-2-propyn-1-amine hydrochloride,
AC1Q3CAR,
(4-Fluorobenzyl)2-propyn-1-ylamine hydrochloride,
ZX-CM018338,
MFCD07170806,
AKOS027386500,
MCULE-1520768533,
NE28737,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.653g/mol |
| Monoisotopic Mass | 199.056g/mol |
| Rotatable Bond Count | 3 |
| 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