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1458615-90-1 | 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine hydrochloride
CAS No: 1458615-90-1 Catalog No: AG01FIO3 MDL No:
Product Description
Catalog Number:
AG01FIO3
Chemical Name:
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine hydrochloride
CAS Number:
1458615-90-1
Molecular Formula:
C8H15BrClN3
Molecular Weight:
268.5818
IUPAC Name:
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C8H14BrN3.ClH/c1-6-8(9)7(2)12(11-6)5-3-4-10;/h3-5,10H2,1-2H3;1H
InChI Key:
AUFSCZQFGKFCME-UHFFFAOYSA-N
SMILES:
NCCCn1nc(c(c1C)Br)C.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.583g/mol
Monoisotopic Mass:
267.014g/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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