Home Other Building Blocks 4-[(azetidin-3-yl)methyl]-1-methyl-1H-pyrazole dihydrochloride

4-[(azetidin-3-yl)methyl]-1-methyl-1H-pyrazole dihydrochloride

CAS No.:
2031261-15-9
Catalog Number:
AG01B78H
Molecular Formula:
C8H15Cl2N3
Molecular Weight:
224.1308
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Product Description
Catalog Number:
AG01B78H
Chemical Name:
4-[(azetidin-3-yl)methyl]-1-methyl-1H-pyrazole dihydrochloride
CAS Number:
2031261-15-9
Molecular Formula:
C8H15Cl2N3
Molecular Weight:
224.1308
MDL Number:
MFCD30345186
IUPAC Name:
4-(azetidin-3-ylmethyl)-1-methylpyrazole;dihydrochloride
InChI:
InChI=1S/C8H13N3.2ClH/c1-11-6-8(5-10-11)2-7-3-9-4-7;;/h5-7,9H,2-4H2,1H3;2*1H
InChI Key:
LMKHUTVUQNJAJK-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CC1CNC1.Cl.Cl
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
224.129g/mol
Monoisotopic Mass:
223.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties