N1-Boc-2-butene-1,4-diamine Hydrochloride - CAS 1914155-12-6
Catalog: |
BB014810 |
Product Name: |
N1-Boc-2-butene-1,4-diamine Hydrochloride |
CAS: |
1914155-12-6 |
Synonyms: |
N-[(E)-4-aminobut-2-enyl]carbamic acid tert-butyl ester;hydrochloride; tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate;hydrochloride |
IUPAC Name: | tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate;hydrochloride |
Description: | N1-Boc-2-butene-1,4-diamine Hydrochloride (CAS# 1914155-12-6) is a useful research chemical compound. |
Molecular Weight: | 222.71 |
Molecular Formula: | C9H19ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC=CCN.Cl |
InChI: | InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-5-4-6-10;/h4-5H,6-7,10H2,1-3H3,(H,11,12);1H/b5-4+; |
InChI Key: | NLKDWOLDLXTIOX-FXRZFVDSSA-N |
LogP: | 2.91920 |
Publication Number | Title | Priority Date |
WO-2020132582-A1 | Sting agonists and uses thereof | 20181221 |
US-2020031825-A1 | Heteroaromatic-fused imidazolyl amides, compositions and uses thereof as sting agonists | 20180710 |
WO-2020010451-A1 | Heteroaromatic-fused imidazolyl amides, compositions and uses thereof as sting agonists | 20180710 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 222.1135055 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1135055 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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