| CAS Number | 153877-87-3 |
| Catalog Number | AG00B0ZV(AGN-PC-0WCK3R) |
| Chemical Name | 4-fluoro-N1-(propan-2-yl)benzene-1,2-diamine |
| IUPAC Name | 4-fluoro-1-N-propan-2-ylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H13FN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3 |
| InChI Key | XAJNISZBIJDONJ-UHFFFAOYSA-N |
| MDL Number | MFCD06408848 |
| Molecular Formula | C9H13FN2 |
| Molecular Weight | 168.2113 |
| SMILES | CC(NC1=C(N)C=C(F)C=C1)C |
| Synonyms | 4-fluoro-1-N-(propan-2-yl)benzene-1,2-diamine,
153877-87-3,
1,2-Benzenediamine, 4-fluoro-N1-(1-methylethyl)-,
AC1Q1QA7,
SCHEMBL3631151,
XAJNISZBIJDONJ-UHFFFAOYSA-N,
ZINC20381490,
AKOS009237919,
NE53383,
4-Fluoro-N-2-propyl-benzene-1,2-diamine,
EN300-45059,
4-fluoro-N1-(propan-2-yl)benzene-1,2-diamine,
A1-00123,
CID10511309,
4-fluoro-N-propan-2-yl-benzene-1,2-diamine,
|
| Complexity | 139 |
| 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 | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number