| CAS Number | 198896-26-3 |
| Catalog Number | AG01A3OJ(AGN-PC-03IT93) |
| Chemical Name | tert-butyl N-[3-(3-hydroxypropyl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[3-(3-hydroxypropyl)phenyl]carbamate |
| InChI | InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-8-4-6-11(10-12)7-5-9-16/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,15,17) |
| InChI Key | QQBYPZWPGFLUAB-UHFFFAOYSA-N |
| MDL Number | MFCD25371569 |
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.3214 |
| SMILES | OCCCc1cccc(c1)NC(=O)OC(C)(C)C |
| Synonyms | tert-butyl N-[3-(3-hydroxypropyl)phenyl]carbamate,
198896-26-3,
SCHEMBL7972399,
QQBYPZWPGFLUAB-UHFFFAOYSA-N,
ZINC95347506,
AKOS033501946,
MCULE-6377392652,
NE17160,
3-(3-tert-butoxycarbonylaminophenyl)propanol,
Z1649677651,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.326g/mol |
| Monoisotopic Mass | 251.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number