| CAS Number | 342638-01-1 |
| Catalog Number | AG01A86Z(AGN-PC-01UBOE) |
| Chemical Name | 4-(Benzyloxy)butan-1-amine |
| IUPAC Name | 4-phenylmethoxybutan-1-amine |
| InChI | InChI=1S/C11H17NO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,12H2 |
| InChI Key | TZHOKOVQYMRTEI-UHFFFAOYSA-N |
| MDL Number | MFCD08275117 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | C1=CC=C(C=C1)COCCCCN |
| Synonyms | 4-(benzyloxy)butan-1-amine,
342638-01-1,
SCHEMBL4574564,
CTK7E8163,
ZINC19280649,
AKOS000156319,
MCULE-1760628040,
NE27389,
NCGC00337291-01,
EN300-60883,
AB01209534-03,
AC1Q54GZ,
1-Butanamine,4-(phenylmethoxy)-,
1-Butanamine, 4-(phenylmethoxy)-,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.26g/mol |
| Monoisotopic Mass | 179.131014g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number