| CAS Number | 1159826-71-7 |
| Catalog Number | AG000HCH(AGN-PC-0WCXYR) |
| Chemical Name | 2-N-BOC-AMINO-1-METHYLINDOLE |
| IUPAC Name | tert-butyl N-(1-methylindol-2-yl)carbamate |
| InChI | InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)15-12-9-10-7-5-6-8-11(10)16(12)4/h5-9H,1-4H3,(H,15,17) |
| InChI Key | YQBTXPLKZWAIGL-UHFFFAOYSA-N |
| MDL Number | MFCD11707036 |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.3049 |
| SMILES | CN1C(NC(=O)OC(C)(C)C)=CC2=C1C=CC=C2 |
| Synonyms | 1159826-71-7,
2-N-Boc-Amino-1-methylindole,
tert-Butyl (1-methyl-1H-indol-2-yl)carbamate,
tert-Butyl 1-methyl-1H-indol-2-ylcarbamate,
CTK4A9592,
DTXSID20679398,
CS-D0167,
MFCD11707036,
ZINC44137776,
AKOS026670802,
FCH1628374,
AK191292,
AS-37106,
AX8266753,
tert-butyl N-(1-methylindol-2-yl)carbamate,
X-2276,
(1-Methyl-1H-indol-2-yl)-carbamic acid tert-butyl ester,
Carbamic acid, N-(1-methyl-1H-indol-2-yl)-, 1,1-dimethylethyl ester,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.31g/mol |
| Monoisotopic Mass | 246.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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