| CAS Number | 625437-36-7 |
| Catalog Number | AG00EE8G(AGN-PC-0LG2P7) |
| Chemical Name | N-[(2-chloro-6-fluorophenyl)methyl]cyclopropanamine |
| IUPAC Name | N-[(2-chloro-6-fluorophenyl)methyl]cyclopropanamine |
| InChI | InChI=1S/C10H11ClFN/c11-9-2-1-3-10(12)8(9)6-13-7-4-5-7/h1-3,7,13H,4-6H2 |
| InChI Key | VNFABSKAJCALBZ-UHFFFAOYSA-N |
| MDL Number | MFCD07366357 |
| Molecular Formula | C10H11ClFN |
| Molecular Weight | 199.6524 |
| SMILES | FC1=C(CNC2CC2)C(Cl)=CC=C1 |
| Synonyms | (2-CHLORO-6-FLUOROBENZYL)CYCLOPROPYLAMINE,
625437-36-7,
N-(2-chloro-6-fluorobenzyl)cyclopropanamine,
AC1NG8Q0,
SCHEMBL2468656,
CTK5B5271,
DTXSID30405968,
VNFABSKAJCALBZ-UHFFFAOYSA-N,
ZINC4218242,
MFCD07366357,
STK513340,
AKOS000284660,
MCULE-5640248882,
AJ-49027,
Y-2840,
(2-Chloro-6-fluorobenzyl)cyclopropylamine x1hcl,
N-(2-chloro-6-fluorobenzyl)-N-cyclopropylamine,
AN-465/42886870,
N-[(2-chloro-6-fluorophenyl)methyl]cyclopropanamine,
CID4720324,
N-[(2-chloro-6-fluoro-phenyl)methyl]cyclopropanamine,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.653g/mol |
| Monoisotopic Mass | 199.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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