1-Lsoquinolinamine, 5-chloro-3-(2-pyridinyl)-, copper complex

Catalog Number	ACM69762318
CAS	69762-31-8
Synonyms	5-Chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;copper(1+);nitric acid
Molecular Weight	666.2
Molecular Formula	C28H49Cl2CuN7O3
Canonical SMILES	C1CC[N-]C(C1)C2CC3C(CCCC3Cl)C([N-]2)N.C1CC[N-]C(C1)C2CC3C(CCCC3Cl)C([N-]2)N.[N+](=O)(O)[O-].[Cu+]
InChI	InChI=1S/2C14H24ClN3.Cu.HNO3/c2*15-11-5-3-4-9-10(11)8-13(18-14(9)16)12-6-1-2-7-17-12;2-1(3)4/h2*9-14H,1-8,16H2;(H,2,3,4)/q2*-2;+1;
InChI Key	APVYVOUXPFRVJS-UHFFFAOYSA-N
Purity	98%
Complexity	660
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	664.256991
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Monoisotopic Mass	664.256991
Rotatable Bond Count	0
Topological Polar Surface Area	122 Ų