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29212-49-5 | 1H-Pyrrol-3-amine(9CI)
CAS No: 29212-49-5 Catalog No: AG002XP7 MDL No:
Product Description
Catalog Number:
AG002XP7
Chemical Name:
1H-Pyrrol-3-amine(9CI)
CAS Number:
29212-49-5
Molecular Formula:
C4H6N2
Molecular Weight:
82.1038
IUPAC Name:
1H-pyrrol-3-amine
InChI:
InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2
InChI Key:
WAUGGYPDCQZJKK-UHFFFAOYSA-N
SMILES:
Nc1c[nH]cc1
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.053g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
82.106g/mol
Monoisotopic Mass:
82.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis of directly linked diazine isosteres of pyrrole-polyamide that photochemically cleave DNA. | Organic & biomolecular chemistry 20120207 |
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