| CAS Number | 113261-00-0 |
| Catalog Number | AG008UUF(AGN-PC-00K6GD) |
| Chemical Name | (3-AMINO-PHENYL)-CARBAMIC ACID BENZYL ESTER |
| IUPAC Name | benzyl N-(3-aminophenyl)carbamate |
| InChI | InChI=1S/C14H14N2O2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17) |
| InChI Key | LVKFFMWGFFEDEE-UHFFFAOYSA-N |
| MDL Number | MFCD06657917 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | NC=1C=C(C=CC1)NC(OCC1=CC=CC=C1)=O |
| Synonyms | 113261-00-0,
(3-AMINO-PHENYL)-CARBAMIC ACID BENZYL ESTER,
Benzyl (3-aminophenyl)carbamate,
Benzyl N-(3-aminophenyl)carbamate,
Benzyl 3-aminophenylcarbamate,
SCHEMBL3583048,
m-(benzyloxycarbonylamino)aniline,
LVKFFMWGFFEDEE-UHFFFAOYSA-N,
ZINC37222839,
AKOS009446735,
AM805630,
AS-65895,
DB-114265,
CS-0038886,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.105528g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.27g/mol |
| Monoisotopic Mass | 242.105528g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number