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100866-28-2 | 9H-Xanthene-9-methanamine
CAS No: 100866-28-2 Catalog No: AG00031V MDL No:
Product Description
Catalog Number:
AG00031V
Chemical Name:
9H-Xanthene-9-methanamine
CAS Number:
100866-28-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
9H-xanthen-9-ylmethanamine
InChI:
InChI=1S/C14H13NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
InChI Key:
VYDDHEPARBFMGU-UHFFFAOYSA-N
SMILES:
NCC1c2ccccc2Oc2c1cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin receptor. | Bioorganic & medicinal chemistry letters 20010226 |
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