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1427475-21-5 | 3-(AMINOMETHYL)-1-BENZYLPYRAZOLE 2HCL
CAS No: 1427475-21-5 Catalog No: AG003I61 MDL No:MFCD23703523
Product Description
Catalog Number:
AG003I61
Chemical Name:
3-(AMINOMETHYL)-1-BENZYLPYRAZOLE 2HCL
CAS Number:
1427475-21-5
Molecular Formula:
C11H15Cl2N3
Molecular Weight:
260.1629
MDL Number:
MFCD23703523
IUPAC Name:
(1-benzylpyrazol-3-yl)methanamine;dihydrochloride
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
SMILES:
NCc1ccn(n1)Cc1ccccc1.Cl.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.162g/mol
Monoisotopic Mass:
259.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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