| CAS Number | 1159823-50-3 |
| Catalog Number | AG000HAV(AGN-PC-0WCXYE) |
| Chemical Name | tert-butyl 5-(2-aminoethyl)-1H-indole-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 5-(2-aminoethyl)indole-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C15H20N2O2.ClH/c1-15(2,3)19-14(18)17-9-7-12-10-11(6-8-16)4-5-13(12)17;/h4-5,7,9-10H,6,8,16H2,1-3H3;1H |
| InChI Key | MYUXVSOQEVWKDE-UHFFFAOYSA-N |
| MDL Number | MFCD09878753 |
| Molecular Formula | C15H21ClN2O2 |
| Molecular Weight | 296.7924 |
| SMILES | Cl.CC(C)(C)OC(=O)N1C=CC2=C1C=CC(CCN)=C2 |
| Synonyms | 1159823-50-3,
5-aminoethyl-1-boc-indole hcl,
tert-butyl 5-(2-aminoethyl)-1H-indole-1-carboxylate hydrochloride,
5-aminoethyl-1-Boc-indole hydrochloride,
DTXSID10674211,
ACT07506,
MFCD09878753,
AS-35860,
AB0004787,
AX8266547,
X-1904,
tert-butyl 5-(2-aminoethyl)indole-1-carboxylate;hydrochloride,
5-(2-Amino-ethyl)-indole-1-carboxylic acid tert-butyl ester hydrochloride,
tert-Butyl 5-(2-aminoethyl)-1H-indole-1-carboxylate--hydrogen chloride (1/1),
1H-Indole-1-carboxylic acid, 5-(2-aminoethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1),
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.795g/mol |
| Monoisotopic Mass | 296.129g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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