Molecular Weight	621.29048 [g/mol]
Molecular Formula	C35H57ClN2O5
H-Bond Donor	4
H-Bond Acceptor	7
Rotatable Bond Count	9
Tautomer Count	3
Exact Mass	620.395601
MonoIsotopic Mass	620.395601
Topological Polar Surface Area	127
Heavy Atom Count	43
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	4
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	4

IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;
2-(butoxymethyl)oxirane; 2-(chloromethyl)oxirane;
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Canonical SMILES: CCCCOCC1CO1.CC1(CC(CC(C1)(C)CN)N)C.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.
C1C(O1)CCl
InChI: InChI=1S/C15H16O2.C10H22N2.C7H14O2.C3H5ClO/c1-15(2,
11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-9(2)4-8(12)5-10(3,
6-9)7-11;1-2-3-4-8-5-7-6-9-7;4-1-3-2-5-3/h3-10,16-17H,1-2H3;8H,4-7,
11-12H2,1-3H3;7H,2-6H2,1H3;3H,1-2H2
InChIKey: BLMKRJBHDWEXCN-UHFFFAOYSA-N

CID 175042   

Similar Compounds: 3 Links

Substances: 2 Links

Category: [for same structure substances]