3-(Aminomethyl)-1-methyl-1H-indazole - CAS 739359-10-5
Catalog: |
BB034954 |
Product Name: |
3-(Aminomethyl)-1-methyl-1H-indazole |
CAS: |
739359-10-5 |
Synonyms: |
(1-methyl-3-indazolyl)methanamine; (1-methylindazol-3-yl)methanamine |
IUPAC Name: | (1-methylindazol-3-yl)methanamine |
Description: | 1-Methyl-1H-indazole-3-methanamine was used in the study of a small-molecule probe induced conformation in HIV TAR RNA capable of binding drug-like fragments. |
Molecular Weight: | 161.20 |
Molecular Formula: | C9H11N3 |
Canonical SMILES: | CN1C2=CC=CC=C2C(=N1)CN |
InChI: | InChI=1S/C9H11N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6,10H2,1H3 |
InChI Key: | SNWIPUWAHWNMKG-UHFFFAOYSA-N |
Boiling Point: | 312.451 °C at 760 mmHg |
Density: | 1.224 g/cm3 |
MDL: | MFCD08271877 |
LogP: | 1.73230 |
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 |
US-2018094086-A1 | Near infrared absorbing composition, near infrared cut filter, method of manufacturing near infrared cut filter, device, method of manufacturing copper-containing polymer, and copper-containing polymer | 20150624 |
AU-2014304046-A1 | Benzimidazolyl-methyl urea derivatives as ALX receptor agonists | 20130809 |
CA-2917954-A1 | Benzimidazolyl-methyl urea derivatives as alx receptor agonists | 20130809 |
EP-3030560-B1 | Benzimidazolyl-methyl urea derivatives as alx receptor agonists | 20130809 |
ES-2641172-T3 | Benzimidazolyl-methyl urea derivatives as ALX receptor agonists | 20130809 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Amines and Anilines
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