| CAS Number | 75180-45-9 |
| Catalog Number | AG00G9VL(AGN-PC-0WBL2A) |
| Chemical Name | 1-(4-Methoxyphenyl)cyclopropanemethanamine |
| IUPAC Name | [1-(4-methoxyphenyl)cyclopropyl]methanamine |
| InChI | InChI=1S/C11H15NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3 |
| InChI Key | MHMAVRWOZLLFQF-UHFFFAOYSA-N |
| MDL Number | MFCD06213249 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | COC1=CC=C(C=C1)C2(CC2)CN |
| Synonyms | 75180-45-9,
[1-(4-methoxyphenyl)cyclopropyl]methanamine,
[1-(4-Methoxyphenyl)cyclopropyl]methylamine,
(1-(4-Methoxyphenyl)cyclopropyl)methanamine,
1-(4-Methoxyphenyl)cyclopropane-1-methanamine,
SCHEMBL12895113,
MFCD06213249,
ZINC11848920,
AKOS002671529,
AB23403,
MCULE-1784133126,
NE51115,
RP23885,
SY139413,
c-[1-(4-methoxyphenyl)cyclopropyl]methylamine,
MFCD06213249 (95%),
Z1421986180,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number