3-(Aminomethyl)-1-benzylpyrazole Dihydrochloride - CAS 1427475-21-5
Catalog: |
BB009432 |
Product Name: |
3-(Aminomethyl)-1-benzylpyrazole Dihydrochloride |
CAS: |
1427475-21-5 |
Synonyms: |
[1-(phenylmethyl)-3-pyrazolyl]methanamine;dihydrochloride; (1-benzylpyrazol-3-yl)methanamine;dihydrochloride |
IUPAC Name: | (1-benzylpyrazol-3-yl)methanamine;dihydrochloride |
Description: | 3-(Aminomethyl)-1-benzylpyrazole Dihydrochloride (CAS# 1427475-21-5) is a useful research chemical. |
Molecular Weight: | 260.16 |
Molecular Formula: | C11H15Cl2N3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=CC(=N2)CN.Cl.Cl |
InChI: | InChI=1S/C11H13N3.2ClH/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10;;/h1-7H,8-9,12H2;2*1H |
InChI Key: | OWPIRNDTOSHXQE-UHFFFAOYSA-N |
LogP: | 3.69440 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0643029 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0643029 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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