| CAS Number | 7684-27-7 |
| Catalog Number | AG00G875(AGN-PC-0WA83Z) |
| Chemical Name | 3-(Phenylmethyl)morpholine |
| IUPAC Name | 3-benzylmorpholine |
| InChI | InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2 |
| InChI Key | LSXCLMMIDIVSFG-UHFFFAOYSA-N |
| MDL Number | MFCD09991891 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | C(C1=CC=CC=C1)C1NCCOC1 |
| Synonyms | 3-benzylmorpholine,
7684-27-7,
AC1MMCUL,
3-BENZYL-MORPHOLINE,
3-Benzylmorpholine hcl 95+%,
SCHEMBL2333756,
CTK8I8442,
PS-J-046,
AKOS005259645,
CB-4214,
MCULE-9963567571,
DA-03508,
F8880-3033,
(R)-3-Benzylmorpholine,
(S)-3-Benzylmorpholine,
CID3283983,
A7326,
481038-59-9,
77897-23-5,
|
| Complexity | 143 |
| 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 | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number