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21056-78-0 | 1H-Pyrazole-4-propanamine
CAS No: 21056-78-0 Catalog No: AG002KVK MDL No:MFCD07801115
Product Description
Catalog Number:
AG002KVK
Chemical Name:
1H-Pyrazole-4-propanamine
CAS Number:
21056-78-0
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD07801115
IUPAC Name:
3-(1H-pyrazol-4-yl)propan-1-amine
InChI:
InChI=1S/C6H11N3/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2,(H,8,9)
InChI Key:
NKPUYKJNDVFPCP-UHFFFAOYSA-N
SMILES:
NCCCc1c[nH]nc1
Properties
Complexity:
74.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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