| CAS Number | 137605-80-2 |
| Catalog Number | AG009CTT(AGN-PC-0WOWV0) |
| Chemical Name | 3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate |
| IUPAC Name | 3-(morpholin-4-ylmethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO3.ClH/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13;/h1-3,8H,4-7,9H2,(H,14,15);1H |
| InChI Key | UOMMCPQFAXOMMO-UHFFFAOYSA-N |
| MDL Number | MFCD07772833 |
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.7133 |
| SMILES | Cl.O1CCN(CC1)CC=1C=C(C(=O)O)C=CC1 |
| Synonyms | 137605-80-2,
3-(morpholin-4-ylmethyl)benzoic acid hydrochloride,
3-(Morpholinomethyl)benzoic acid hydrochloride,
AC1Q3EXM,
SCHEMBL9837720,
DTXSID00640203,
SBB101919,
AKOS027385069,
MCULE-9558742521,
NE40227,
EN300-66696,
3-(morpholin-4-ylmethyl)benzoic acid, chloride,
3-[(morpholin-4-yl)methyl]benzoic acid hydrochloride,
Z1259163777,
3-[(Morpholin-4-yl)methyl]benzoic acid--hydrogen chloride (1/1),
3-(morpholin-4-ylmethyl)benzoic acid,hydrochloride,
3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.714g/mol |
| Monoisotopic Mass | 257.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number