Home Other Building Blocks (1S)-1-(5-ISOQUINOLYL)ETHYLAMINE

(1S)-1-(5-ISOQUINOLYL)ETHYLAMINE

CAS No.:
1213144-78-5
Catalog Number:
AG01DV2P
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
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Product Description
Catalog Number:
AG01DV2P
Chemical Name:
(1S)-1-(5-ISOQUINOLYL)ETHYLAMINE
CAS Number:
1213144-78-5
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD09829410
IUPAC Name:
(1S)-1-isoquinolin-5-ylethanamine
InChI:
InChI=1S/C11H12N2/c1-8(12)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,12H2,1H3/t8-/m0/s1
InChI Key:
QPDOKFBCSKHSEX-QMMMGPOBSA-N
SMILES:
C[C@@H](c1cccc2c1ccnc2)N
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties