| CAS Number | 1213642-78-4 |
| Catalog Number | AG009XFC(AGN-PC-0WA1PG) |
| Chemical Name | (1S)Cyclopropyl(3-methoxyphenyl)methylamine |
| IUPAC Name | (S)-cyclopropyl-(3-methoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8;/h2-4,7-8,11H,5-6,12H2,1H3;1H/t11-;/m0./s1 |
| InChI Key | YZEPXOHQBWEEEY-MERQFXBCSA-N |
| MDL Number | MFCD19705373 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | COc1cccc(c1)[C@H](C1CC1)N |
| Synonyms | (S)-Cyclopropyl(3-methoxyphenyl)methanamine hydrochloride,
1213642-78-4,
1332609-12-7,
(1S)CYCLOPROPYL(3-METHOXYPHENYL)METHYLAMINE HCl,
DTXSID90704262,
3811AA,
MFCD19705373,
AKOS015923305,
AKOS016009431,
AK-42510,
AX8209837,
ST2402852,
(S)-1-Cyclopropyl-1-(3-methoxyphenyl)methanamine hydrochloride,
(S)-1-Cyclopropyl-1-(3-methoxyphenyl)methanamine--hydrogen chloride (1/1),
C11H16ClNO,
YZEPXOHQBWEEEY-MERQFXBCSA-N,
ACN-055256,
(1S)CYCLOPROPYL(3-METHOXYPHENYL)METHYLAMINE-HCl,
(1S)CYCLOPROPYL(3-METHOXYPHENYL)METHYLAMINE,
(R)-Cyclopropyl(3-methoxyphenyl)methanamine hydrochloride,
1391455-00-7,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number