tert- Butyl 5- (Aminomethyl) - 1H- indole- 1- carboxylate Hydrochloride - CAS 1390654-71-3
Catalog: |
BB062059 |
Product Name: |
tert- Butyl 5- (Aminomethyl) - 1H- indole- 1- carboxylate Hydrochloride |
CAS: |
1390654-71-3 |
Synonyms: |
tert-Butyl 5-(aminomethyl)-1H-indole-1-carboxylate hydrochloride; tert-butyl 5-(aminomethyl)indole-1-carboxylate; hydrochloride; tert-Butyl5-(aminomethyl)-1H-indole-1-carboxylatehydrochloride; tert-Butyl 5-(aminomethyl)-1H-indole-1-carboxylate hydrochloride, AldrichCPR |
IUPAC Name: | tert-butyl 5-(aminomethyl)indole-1-carboxylatehydrochloride |
Molecular Weight: | 246.30+(36.46) |
Molecular Formula: | C14H18N2O2·HCl |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)CN.Cl |
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,9,15H2,1-3H31H |
InChI Key: | KOZMDQMQJKFHKH-UHFFFAOYSA-N |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1135055 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1135055 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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