3-[(9H-Purin-6-ylamino)methyl]phenol - CAS 75737-38-1
Catalog: |
BB053729 |
Product Name: |
3-[(9H-Purin-6-ylamino)methyl]phenol |
CAS: |
75737-38-1 |
Synonyms: |
meta-topolin |
IUPAC Name: | 3-[(7H-purin-6-ylamino)methyl]phenol |
Molecular Weight: | 241.25 |
Molecular Formula: | C12H11N5O |
Canonical SMILES: | C1=CC(=CC(=C1)O)CNC2=NC=NC3=C2NC=N3 |
InChI: | InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17) |
InChI Key: | BUDWTFCZGZYQHZ-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.49 |
Appearance: | White to Yellow Powder |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.09635999 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.09635999 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Amines and Anilines
Purines
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