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1315368-21-8 | 4-(1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 1315368-21-8 Catalog No: AG01AJFG MDL No:MFCD19382268
Product Description
Catalog Number:
AG01AJFG
Chemical Name:
4-(1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
1315368-21-8
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
MDL Number:
MFCD19382268
IUPAC Name:
4-pyrazol-1-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H13N3.ClH/c1-2-5-11-10(4-1)8-13-9-12(11)15-7-3-6-14-15;/h1-7,12-13H,8-9H2;1H
InChI Key:
BNYZUMKHXIRSNT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C(CNC2)n1cccn1.Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.715g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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