| CAS Number | 1037131-77-3 |
| Catalog Number | AG019D1E(AGN-PC-0WBSBA) |
| Chemical Name | [1-(3-fluorophenyl)cyclobutyl]methanamine |
| IUPAC Name | [1-(3-fluorophenyl)cyclobutyl]methanamine |
| InChI | InChI=1S/C11H14FN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2 |
| InChI Key | QVKLJTPSPVHTRP-UHFFFAOYSA-N |
| MDL Number | MFCD11188946 |
| Molecular Formula | C11H14FN |
| Molecular Weight | 179.2340 |
| SMILES | NCC1(C2=CC(F)=CC=C2)CCC1 |
| Synonyms | (1-(3-fluorophenyl)cyclobutyl)methanamine,
1037131-77-3,
1-(3-Fluorophenyl)cyclobutanemethanamine,
[1-(3-fluorophenyl)cyclobutyl]methanamine,
CTK8D3644,
DTXSID10651820,
ZINC20429517,
AKOS009264987,
AJ-77493,
SY225911,
DB-059038,
TC-071698,
1-[1-(3-Fluorophenyl)cyclobutyl]methanamine,
FT-0758434,
MFCD11188946 (95%),
S14-1836,
I14-13214,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.238g/mol |
| Monoisotopic Mass | 179.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number