(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane - CAS 134679-22-4
Catalog: |
BB075983 |
Product Name: |
(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane |
CAS: |
134679-22-4 |
Synonyms: |
(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane; (1S,4S)-5-METHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE; (1S,4S)-2-methyl-2,5-diaza-bicyclo[2.2.1]heptane; 2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, (1S,4S)- |
IUPAC Name: | (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane |
Description: | (1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane is a useful reactant in organic synthesis. |
Molecular Weight: | 112.17 |
Molecular Formula: | C6H12N2 |
Canonical SMILES: | CN1CC2CC1CN2 |
InChI: | InChI=1S/C6H12N2/c1-8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3/t5-,6-/m0/s1 |
InChI Key: | YFDRYBUJCGOYCQ-WDSKDSINSA-N |
References: | Lopez-Ortiz, Manuel, et al. Bioorg. & Med. Chem. Let., 20(11), 3231-3234 (2010);Micheli, Fabrizio, et al. Bioorg. & Med. Chem. Let., 18(6), 1804-1809 (2008). |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403, P405, and P501 |
Signal Word: | Danger |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.100048391 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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