| CAS Number | 1181382-84-2 |
| Catalog Number | AG01FN0Z(AGN-PC-3H5N9C) |
| Chemical Name | N-[(4-methoxyphenyl)methyl]cyclobutanamine |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]cyclobutanamine |
| InChI | InChI=1S/C12H17NO/c1-14-12-7-5-10(6-8-12)9-13-11-3-2-4-11/h5-8,11,13H,2-4,9H2,1H3 |
| InChI Key | KWPXRGPYGNBPNM-UHFFFAOYSA-N |
| MDL Number | MFCD16107917 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=CC=C(C=C1)CNC2CCC2 |
| Synonyms | N-(4-methoxybenzyl)cyclobutanamine,
1181382-84-2,
SCHEMBL1357212,
KWPXRGPYGNBPNM-UHFFFAOYSA-N,
Cyclobutyl-(4-methoxy-benzyl)-amine,
ZINC44479980,
AKOS011050085,
DA-14977,
N-[(4-methoxyphenyl)methyl]cyclobutanamine,
FT-0758737,
A1-10753,
F1967-9668,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number