1,4-Diamino-2-butanone dihydrochloride - CAS 3660-09-1
Catalog: |
BB023015 |
Product Name: |
1,4-Diamino-2-butanone dihydrochloride |
CAS: |
3660-09-1 |
Synonyms: |
1,4-diaminobutan-2-one;dihydrochloride |
IUPAC Name: | 1,4-diaminobutan-2-one;dihydrochloride |
Description: | 1,4-Diamino-2-butanone dihydrochloride (CAS# 3660-09-1 ) is a useful research chemical. |
Molecular Weight: | 175.06 |
Molecular Formula: | C4H12Cl2N2O |
Canonical SMILES: | C(CN)C(=O)CN.Cl.Cl |
InChI: | InChI=1S/C4H10N2O.2ClH/c5-2-1-4(7)3-6;;/h1-3,5-6H2;2*1H |
InChI Key: | HDRKYQXFDHZZOW-UHFFFAOYSA-N |
Boiling Point: | 223.5 °C at 760 mmHg |
Density: | 1.031 g/cm3 |
MDL: | MFCD00012908 |
LogP: | 1.86760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021034834-A1 | Compositions for sunscreen compounds and methods thereof | 20190818 |
WO-2019210496-A1 | Preparation method for and application of injectable hydrogel | 20180504 |
WO-2016196393-A2 | Autophagy-inhibiting compounds and uses thereof | 20150529 |
EP-2224809-A1 | Inhibition of biofilms in plants with imidazole derivatives | 20071127 |
US-2009143230-A1 | Inhibition of biofilms in plants with imidazole derivatives | 20071127 |
Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0326684 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0326684 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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