| CAS Number | 771571-82-5 |
| Catalog Number | AG005DU3(AGN-PC-0UB6J0) |
| Chemical Name | 3-(Aminomethyl)-4-fluoroaniline |
| IUPAC Name | 3-(aminomethyl)-4-fluoroaniline |
| InChI | InChI=1S/C7H9FN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,4,9-10H2 |
| InChI Key | IAPWZQWCTVUHEA-UHFFFAOYSA-N |
| MDL Number | MFCD06213476 |
| Molecular Formula | C7H9FN2 |
| Molecular Weight | 140.1582 |
| SMILES | NCC1=C(F)C=CC(N)=C1 |
| Synonyms | 771571-82-5,
3-(AMINOMETHYL)-4-FLUOROANILINE,
5-Amino-2-fluorobenzylamine,
Benzenemethanamine,5-amino-2-fluoro-,
SCHEMBL10079185,
CTK5E3937,
DTXSID80668480,
ZINC39118537,
AKOS006295820,
AB23413,
FS-4762,
DA-17668,
CS-0090675,
FT-0716405,
Benzenemethanamine, 5-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