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918963-28-7 | (1R,3S)-3-Aminomethyl-3,5,5-trimethylcyclohexylamine O,O′-dibenzoyl-L-tartrate salt
CAS No: 918963-28-7 Catalog No: AG003BHI MDL No:
Product Description
Catalog Number:
AG003BHI
Chemical Name:
(1R,3S)-3-Aminomethyl-3,5,5-trimethylcyclohexylamine O,O′-dibenzoyl-L-tartrate salt
CAS Number:
918963-28-7
IUPAC Name:
(1R,3S)-3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;(2R,3R)-2,3-dibenzoyloxybutanedioic acid
InChI:
InChI=1S/C18H14O8.C10H22N2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-9(2)4-8(12)5-10(3,6-9)7-11/h1-10,13-14H,(H,19,20)(H,21,22);8H,4-7,11-12H2,1-3H3/t13-,14-;8-,10-/m11/s1
InChI Key:
RLBZDNSMMNKGJB-CWPSWZSLSA-N
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
528.247g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
528.602g/mol
Monoisotopic Mass:
528.247g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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