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BenzenaMine, 4-(2-Methyl-2,7-diazaspiro[3.5]non-7-yl)- structure
BenzenaMine, 4-(2-Methyl-2,7-diazaspiro[3.5]non-7-yl)- structure

BenzenaMine, 4-(2-Methyl-2,7-diazaspiro[3.5]non-7-yl)-

CAS No.: 812647-80-6
Modify Date.: 2022-02-12 13:20
1. Names and Identifiers
1.1 Name
BenzenaMine, 4-(2-Methyl-2,7-diazaspiro[3.5]non-7-yl)-
1.2 Synonyms

4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)aniline

1.3 CAS No.
812647-80-6
1.4 Molecular Formula
C10H18Cl2N2O (isomer)
1.5 Inchi
InChI=1S/C30H22ClN5O9/c31-21-13-7-12-20(16-21)26(38)42-17-30(34-35-32)24(44-28(40)19-10-5-2-6-11-19)23(43-27(39)18-8-3-1-4-9-18)25(45-30)36-15-14-22(37)33-29(36)41/h1-16,23-25H,17H2,(H,33,37,41)/t23-,24+,25-,30-/m1/s1
1.6 InChkey
InChIKey=YZPWKWLXTAGEGN-FJRSXGRASA-N
1.7 Canonical Smiles
C(OC(=O)C1=CC(Cl)=CC=C1)[C@]2(N=[N+]=[N-])[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C4=CC=CC=C4)[C@@](O2)(N5C(=O)NC(=O)C=C5)[H]
1.8 Isomers Smiles
[N-]=[N+]=NC1(OC(N2C=CC(=O)NC2=O)C(OC(=O)C=3C=CC=CC3)C1OC(=O)C=4C=CC=CC4)COC(=O)C=5C=CC=C(Cl)C5
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