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1503251-51-1 | 1H-Pyrrole-2-methanamine, 3,5-dimethyl-
CAS No: 1503251-51-1 Catalog No: AG001MIF MDL No:MFCD28398135
Product Description
Catalog Number:
AG001MIF
Chemical Name:
1H-Pyrrole-2-methanamine, 3,5-dimethyl-
CAS Number:
1503251-51-1
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD28398135
IUPAC Name:
(3,5-dimethyl-1H-pyrrol-2-yl)methanamine
InChI:
InChI=1S/C7H12N2/c1-5-3-6(2)9-7(5)4-8/h3,9H,4,8H2,1-2H3
InChI Key:
CWQJNWJOEZNYET-UHFFFAOYSA-N
SMILES:
NCc1[nH]c(cc1C)C
Properties
Complexity:
92.9
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:
2
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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