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220327-29-7 | 6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 220327-29-7 Catalog No: AG00VSCG MDL No:MFCD09886800
Product Description
Catalog Number:
AG00VSCG
Chemical Name:
6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
220327-29-7
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
MDL Number:
MFCD09886800
IUPAC Name:
6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17N/c1-12-7-8-15-14(11-12)9-10-17-16(15)13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3
InChI Key:
QRDBGYAEGVDVSF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCNC2c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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