2-Amino-1-isopropylbenzimidazole - CAS 90871-47-9
Catalog: |
BB039975 |
Product Name: |
2-Amino-1-isopropylbenzimidazole |
CAS: |
90871-47-9 |
Synonyms: |
1-propan-2-yl-2-benzimidazolamine; 1-propan-2-ylbenzimidazol-2-amine |
IUPAC Name: | 1-propan-2-ylbenzimidazol-2-amine |
Description: | 2-Amino-1-isopropylbenzimidazole (CAS# 90871-47-9) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C10H13N3 |
Canonical SMILES: | CC(C)N1C2=CC=CC=C2N=C1N |
InChI: | InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12) |
InChI Key: | UDJSHISPNDRJNE-UHFFFAOYSA-N |
MDL: | MFCD00159972 |
LogP: | 2.12950 |
GHS Hazard Statement: | H302 (100%): 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 |
Publication Number | Title | Priority Date |
EP-3652164-A1 | Phenylacetamides as inhibitors of rock | 20170712 |
KR-20200028424-A | Phenylacetamide as ROCK inhibitor | 20170712 |
WO-2019014300-A1 | PHENYLACETAMIDES AS ROCK INHIBITORS | 20170712 |
JP-2020527560-A | Phenylacetamide as a ROCK inhibitor | 20170712 |
US-2021147407-A1 | Phenylacetamides as inhibitors of rock | 20170712 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.110947427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Amines and Anilines
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