2-Methyl-1H-benzimidazole-1-ethanamine - CAS 61981-79-1
Catalog: |
BB031362 |
Product Name: |
2-Methyl-1H-benzimidazole-1-ethanamine |
CAS: |
61981-79-1 |
Synonyms: |
2-(2-methyl-1-benzimidazolyl)ethanamine; 2-(2-methylbenzimidazol-1-yl)ethanamine |
IUPAC Name: | 2-(2-methylbenzimidazol-1-yl)ethanamine |
Description: | 2-Methyl-1H-benzimidazole-1-ethanamine (CAS# 61981-79-1) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C10H13N3 |
Canonical SMILES: | CC1=NC2=CC=CC=C2N1CCN |
InChI: | InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3 |
InChI Key: | UREWYRDRWNMMAZ-UHFFFAOYSA-N |
Boiling Point: | 354.4 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
LogP: | 2.80570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2017042905-A1 | Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto | 20140429 |
US-2007282101-A1 | Indazole compounds | 20060331 |
US-2012053345-A1 | Indazole Compounds | 20060331 |
US-8008481-B2 | Indazole compounds | 20060331 |
US-2007213340-A1 | Farnesyl protein transferase inhibitors | 20060119 |
Complexity: | 172 |
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: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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