| CAS Number | 919085-52-2 |
| Catalog Number | AG00IGXR(AGN-PC-0JEK33) |
| Chemical Name | 4-(Boc-aminoethyloxy)benzonitrile |
| IUPAC Name | tert-butyl N-[2-(4-cyanophenoxy)ethyl]carbamate |
| InChI | InChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-8-9-18-12-6-4-11(10-15)5-7-12/h4-7H,8-9H2,1-3H3,(H,16,17) |
| InChI Key | LTUFIJMRYINTOU-UHFFFAOYSA-N |
| MDL Number | MFCD18070986 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | CC(OC(NCCOC1=CC=C(C#N)C=C1)=O)(C)C |
| Synonyms | 4-(Boc-aminoethyloxy)benzonitrile,
919085-52-2,
2-Methyl-2-propanyl [2-(4-cyanophenoxy)ethyl]carbamate,
SCHEMBL13140981,
KS-00000EG8,
5993AJ,
MFCD18070986,
ZINC95910987,
AKOS016938640,
4-(Boc-aminoethyloxy)benzonitrile 97%,
MCULE-7818665380,
CS-11228,
SY011010,
FT-0759700,
MFCD18070986 (95%),
tert-butyl 2-amino-3-(4-cyanophenoxy)propanoate,
tert-butyl N-[2-(4-cyanophenoxy)ethyl]carbamate,
C14H18N2O3,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number