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100911-22-6 | 1H-Pyrrole-1-ethanamine, N-methyl-
CAS No: 100911-22-6 Catalog No: AG000371 MDL No:MFCD16837786
Product Description
Catalog Number:
AG000371
Chemical Name:
1H-Pyrrole-1-ethanamine, N-methyl-
CAS Number:
100911-22-6
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD16837786
IUPAC Name:
N-methyl-2-pyrrol-1-ylethanamine
InChI:
InChI=1S/C7H12N2/c1-8-4-7-9-5-2-3-6-9/h2-3,5-6,8H,4,7H2,1H3
InChI Key:
UGOZVQRJDQYTKT-UHFFFAOYSA-N
SMILES:
CNCCn1cccc1
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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