| CAS Number | 300798-95-2 |
| Catalog Number | AG00I5MD(AGN-PC-0WP1O6) |
| Chemical Name | 4-fluoro-1-N-propylbenzene-1,2-diamine |
| IUPAC Name | 4-fluoro-1-N-propylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H13FN2/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3 |
| InChI Key | ZRKLXAJXEPZWCU-UHFFFAOYSA-N |
| MDL Number | MFCD11186894 |
| Molecular Formula | C9H13FN2 |
| Molecular Weight | 168.2113 |
| SMILES | CCCNC1=C(N)C=C(F)C=C1 |
| Synonyms | 4-fluoro-1-N-propylbenzene-1,2-diamine,
300798-95-2,
AC1Q2Y3Q,
MFCD11186894,
ZINC20135456,
AKOS009237556,
NE15075,
4-fluoro-N1-propylbenzene-1,2-diamine,
EN300-45058,
4-fluoro-N-propyl-benzene-1,2-diamine,
CID10749621,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.215g/mol |
| Monoisotopic Mass | 168.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number