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102395-77-7 | Isoquinoline, 2-cyclopropyl-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 102395-77-7 Catalog No: AG0007CH MDL No:
Product Description
Catalog Number:
AG0007CH
Chemical Name:
Isoquinoline, 2-cyclopropyl-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
102395-77-7
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
IUPAC Name:
2-cyclopropyl-3,4-dihydro-1H-isoquinoline;chloride
InChI:
InChI=1S/C12H15N.ClH/c1-2-4-11-9-13(12-5-6-12)8-7-10(11)3-1;/h1-4,12H,5-9H2;1H/p-1
InChI Key:
PMYZSAYZMPTCML-UHFFFAOYSA-M
SMILES:
c1ccc2c(c1)CN(CC2)C1CC1.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.709g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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