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29709-35-1 | 1H-Pyrrole-1-ethanamine
CAS No: 29709-35-1 Catalog No: AG002Z5W MDL No:MFCD00958089
Product Description
Catalog Number:
AG002Z5W
Chemical Name:
1H-Pyrrole-1-ethanamine
CAS Number:
29709-35-1
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD00958089
IUPAC Name:
2-pyrrol-1-ylethanamine
InChI:
InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2
InChI Key:
HPDIRFBJYSOVKW-UHFFFAOYSA-N
SMILES:
NCCn1cccc1
Properties
Complexity:
57.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Novel routes to 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazines and 5,6,9,10,11,11a-hexahydro-8H-pyrido[1,2-a]pyrrolo[2,1-c]pyrazines. | The Journal of organic chemistry 20021115 |
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