| CAS Number | 882188-78-5 |
| Catalog Number | AG01B87T |
| Chemical Name | rel-(1r,3s)-2,2-Dimethyl-3-phenylcyclopropan-1-amine |
| IUPAC Name | (1R,3S)-2,2-dimethyl-3-phenylcyclopropan-1-amine |
| InChI | InChI=1S/C11H15N/c1-11(2)9(10(11)12)8-6-4-3-5-7-8/h3-7,9-10H,12H2,1-2H3/t9-,10-/m1/s1 |
| InChI Key | NFISWOCMUKKIGN-NXEZZACHSA-N |
| MDL Number | MFCD22438485 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CC1(C)[C@H]([C@@H]1N)C2=CC=CC=C2 |
| Synonyms | 882188-78-5,
Rac-(1R,3S)-2,2-dimethyl-3-phenylcyclopropan-1-amine,
SCHEMBL3290557,
ZINC39135688,
FCH2719148,
EN300-199901,
2,2-dimethyl-3-phenylcyclopropan-1-amine, trans,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.120449g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.24g/mol |
| Monoisotopic Mass | 161.120449g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number