| CAS Number | 887757-51-9 |
| Catalog Number | AG00IFGW |
| Chemical Name | BENZYL 3-HYDROXYPROPYLMETHYLCARBAMATE |
| IUPAC Name | benzyl N-(3-hydroxypropyl)-N-methylcarbamate |
| InChI | InChI=1S/C12H17NO3/c1-13(8-5-9-14)12(15)16-10-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10H2,1H3 |
| InChI Key | LNMLEONEEMXTII-UHFFFAOYSA-N |
| MDL Number | MFCD09953268 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | O=C(OCC1=CC=CC=C1)N(CCCO)C |
| Synonyms | Benzyl 3-hydroxypropylmethylcarbamate,
887757-51-9,
Benzyl (3-hydroxypropyl)(methyl)carbamate,
SCHEMBL1897393,
LNMLEONEEMXTII-UHFFFAOYSA-N,
MFCD09953268,
ZINC98213375,
benzyl 3-hydroxypropyl(methyl)carbamate,
3-[Methyl(benzyloxycarbonyl)amino]-1-propanol,
CID11954559,
Benzyl N-(3-hydroxypropyl)-N-methyl-carbamate,
Carbamic acid, N-(3-hydroxypropyl)-N-methyl-, phenylmethyl ester,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number