3-(5-Nitro-3-indolyl)-1-propanamine - CAS 282103-39-3
Catalog: |
BB019791 |
Product Name: |
3-(5-Nitro-3-indolyl)-1-propanamine |
CAS: |
282103-39-3 |
Synonyms: |
3-(5-nitro-1H-indol-3-yl)-1-propanamine; 3-(5-nitro-1H-indol-3-yl)propan-1-amine |
IUPAC Name: | 3-(5-nitro-1H-indol-3-yl)propan-1-amine |
Description: | 3-(5-Nitro-3-indolyl)-1-propanamine (CAS# 282103-39-3 ) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C11H13N3O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCCN |
InChI: | InChI=1S/C11H13N3O2/c12-5-1-2-8-7-13-11-4-3-9(14(15)16)6-10(8)11/h3-4,6-7,13H,1-2,5,12H2 |
InChI Key: | MVCYDPCROLEWGX-UHFFFAOYSA-N |
LogP: | 3.19090 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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