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871130-68-6 | (3S)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS No: 871130-68-6 Catalog No: AG01C50L MDL No:MFCD06773783
Product Description
Catalog Number:
AG01C50L
Chemical Name:
(3S)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Number:
871130-68-6
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD06773783
IUPAC Name:
(3S)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C13H16N2O/c16-13(15-11-5-6-11)12-7-9-3-1-2-4-10(9)8-14-12/h1-4,11-12,14H,5-8H2,(H,15,16)/t12-/m0/s1
InChI Key:
FCHPUPJMTKOFON-LBPRGKRZSA-N
SMILES:
O=C([C@H]1NCc2c(C1)cccc2)NC1CC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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