| CAS Number | 1390654-71-3 |
| Catalog Number | AG00J2JT(AGN-PC-0WNLRW) |
| Chemical Name | tert-butyl 5-(aminomethyl)-1H-indole-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 5-(aminomethyl)indole-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H18N2O2.ClH/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16;/h4-8H,9,15H2,1-3H3;1H |
| InChI Key | KOZMDQMQJKFHKH-UHFFFAOYSA-N |
| MDL Number | MFCD20441457 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | N1(C=CC2=CC(CN)=CC=C12)C(=O)OC(C)(C)C.Cl |
| Synonyms | tert-Butyl 5-(aminomethyl)-1H-indole-1-carboxylate hydrochloride,
1390654-71-3,
ZX-CM009900,
MFCD20441457,
tert-Butyl 5-(aminomethyl)-1H-indole-1-carboxylate hydrochloride, AldrichCPR,
KOZMDQMQJKFHKH-UHFFFAOYSA-N,
887584-14-7,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number