| CAS Number | 900174-91-6 |
| Catalog Number | AG01AV37 |
| Chemical Name | 4-(Aminomethyl)-3-fluoroaniline |
| IUPAC Name | 4-(aminomethyl)-3-fluoroaniline |
| InChI | InChI=1S/C7H9FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2 |
| InChI Key | BKWCMHZDPKBMJC-UHFFFAOYSA-N |
| MDL Number | MFCD09263966 |
| Molecular Formula | C7H9FN2 |
| Molecular Weight | 140.1582 |
| SMILES | NCC1=C(C=C(N)C=C1)F |
| Synonyms | 4-(Aminomethyl)-3-fluoroaniline,
900174-91-6,
4-AMINO-2-FLUOROBENZYLAMINE,
SCHEMBL4332045,
CTK5G7286,
DTXSID40657875,
BKWCMHZDPKBMJC-UHFFFAOYSA-N,
ZINC39118493,
AKOS006346000,
AB50282,
FT-0717248,
TL80090420,
BENZENEMETHANAMINE, 4-AMINO-2-FLUORO-,
Benzenemethanamine, 4-amino-2-fluoro- (9CI),
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.161g/mol |
| Monoisotopic Mass | 140.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number