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81885-67-8 | 7-Isoquinolinamine, 2-acetyl-1,2,3,4-tetrahydro-
CAS No: 81885-67-8 Catalog No: AG00508T MDL No:MFCD10016667
Product Description
Catalog Number:
AG00508T
Chemical Name:
7-Isoquinolinamine, 2-acetyl-1,2,3,4-tetrahydro-
CAS Number:
81885-67-8
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD10016667
IUPAC Name:
1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H14N2O/c1-8(14)13-5-4-9-2-3-11(12)6-10(9)7-13/h2-3,6H,4-5,7,12H2,1H3
InChI Key:
XWVFMJLNNGXNSG-UHFFFAOYSA-N
SMILES:
CC(=O)N1Cc2cc(N)ccc2CC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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