1-Isopropylurea - CAS 691-60-1
Catalog: |
BB033716 |
Product Name: |
1-Isopropylurea |
CAS: |
691-60-1 |
Synonyms: |
propan-2-ylurea; propan-2-ylurea |
IUPAC Name: | propan-2-ylurea |
Description: | 1-Isopropylurea (CAS# 691-60-1) is a useful research chemical. |
Molecular Weight: | 102.14 |
Molecular Formula: | C4H10N2O |
Canonical SMILES: | CC(C)NC(=O)N |
InChI: | InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7) |
InChI Key: | LZMATGARSSLFMQ-UHFFFAOYSA-N |
Boiling Point: | 149.3 °C at 760 mmHg |
Density: | 0.976 g/cm3 |
LogP: | 1.15430 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17608466 | 20070726 | Synthesis and biological evaluation of N-pyrazolyl-N'-alkyl/benzyl/phenylureas: a new class of potent inhibitors of interleukin 8-induced neutrophil chemotaxis | Journal of medicinal chemistry |
16838954 | 20050210 | Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives | The journal of physical chemistry. A |
Complexity: | 70.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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