| CAS Number | 203453-80-9 |
| Catalog Number | AG00I3TY(AGN-PC-01A9TX) |
| Chemical Name | 4-(Fmoc-2-aminoethyl)benzoic acid |
| IUPAC Name | 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid |
| InChI | InChI=1S/C24H21NO4/c26-23(27)17-11-9-16(10-12-17)13-14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27) |
| InChI Key | BYXHJLWUYIRBIB-UHFFFAOYSA-N |
| MDL Number | MFCD09952618 |
| Molecular Formula | C24H21NO4 |
| Molecular Weight | 387.4278 |
| SMILES | O=C(O)C1=CC=C(C=C1)CCNC(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42 |
| Synonyms | 203453-80-9,
4-(Fmoc-2-aminoethyl)-benzoic acid,
4-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)benzoic acid,
4-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]benzoic acid,
SCHEMBL14247589,
MFCD09952618,
ZINC39778401,
AKOS012712093,
A-8003,
4-(Fmoc-2-aminoethyl)-benzoic acid, AldrichCPR,
Z2445728670,
4-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)benzoic acid,
Benzoic acid, 4-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-,
|
| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.435g/mol |
| Monoisotopic Mass | 387.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number