| CAS Number | 209784-85-0 |
| Catalog Number | AG00C2S8(AGN-PC-0WOZLQ) |
| Chemical Name | tert-Butyl N-(2-{[4-(aminomethyl)benzene]amido}phenyl)carbamate |
| IUPAC Name | tert-butyl N-[2-[[4-(aminomethyl)benzoyl]amino]phenyl]carbamate |
| InChI | InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16-7-5-4-6-15(16)21-17(23)14-10-8-13(12-20)9-11-14/h4-11H,12,20H2,1-3H3,(H,21,23)(H,22,24) |
| InChI Key | KHBAZSBJXFMJSA-UHFFFAOYSA-N |
| MDL Number | MFCD29035402 |
| Molecular Formula | C19H23N3O3 |
| Molecular Weight | 341.4042 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=CC=C1NC(C2=CC=C(CN)C=C2)=O |
| Synonyms | 209784-85-0,
tert-Butyl (2-(4-(aminomethyl)benzamido)phenyl)carbamate,
TERT-BUTYL N-{2-[4-(AMINOMETHYL)BENZAMIDO]PHENYL}CARBAMATE,
SCHEMBL1435144,
ZINC34760807,
AKOS027439389,
tert-Butyl N-(2-{[4-(aminomethyl)benzene]amido}phenyl)carbamate,
KHBAZSBJXFMJSA-UHFFFAOYSA-N,
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| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.411g/mol |
| Monoisotopic Mass | 341.174g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number