Home Other Building Blocks methyl({[1-(prop-2-yn-1-yl)-1H-pyrazol-4-yl]methyl})amine hydrochloride

methyl({[1-(prop-2-yn-1-yl)-1H-pyrazol-4-yl]methyl})amine hydrochloride

CAS No.:
1394041-63-4
Catalog Number:
AG01A0AL
Molecular Formula:
C8H12ClN3
Molecular Weight:
185.6540
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Product Description
Catalog Number:
AG01A0AL
Chemical Name:
methyl({[1-(prop-2-yn-1-yl)-1H-pyrazol-4-yl]methyl})amine hydrochloride
CAS Number:
1394041-63-4
Molecular Formula:
C8H12ClN3
Molecular Weight:
185.6540
MDL Number:
MFCD22378671
IUPAC Name:
N-methyl-1-(1-prop-2-ynylpyrazol-4-yl)methanamine;hydrochloride
InChI:
InChI=1S/C8H11N3.ClH/c1-3-4-11-7-8(5-9-2)6-10-11;/h1,6-7,9H,4-5H2,2H3;1H
InChI Key:
PRPXRHHJUIPHGH-UHFFFAOYSA-N
SMILES:
CNCc1cnn(c1)CC#C.Cl
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.655g/mol
Monoisotopic Mass:
185.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties