5-(Hydroxymethyl)-1H-benzimidazole - CAS 106429-29-2
Catalog: |
BB001865 |
Product Name: |
5-(Hydroxymethyl)-1H-benzimidazole |
CAS: |
106429-29-2 |
Synonyms: |
3H-benzimidazol-5-ylmethanol; 3H-benzimidazol-5-ylmethanol |
IUPAC Name: | 3H-benzimidazol-5-ylmethanol |
Description: | 5-(Hydroxymethyl)-1H-benzimidazole (CAS# 106429-29-2) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | C1=CC2=C(C=C1CO)NC=N2 |
InChI: | InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10) |
InChI Key: | ITPDIGZAMXKBCF-UHFFFAOYSA-N |
Boiling Point: | 469.5 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.05520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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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Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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