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127607-85-6 | 1H-Imidazole-5-ethanamine, α,β-dimethyl-
CAS No: 127607-85-6 Catalog No: AG000X8G MDL No:
Product Description
Catalog Number:
AG000X8G
Chemical Name:
1H-Imidazole-5-ethanamine, α,β-dimethyl-
CAS Number:
127607-85-6
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
3-(1H-imidazol-5-yl)butan-2-amine
InChI:
InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
InChI Key:
QQTWSOMOTYJIQP-UHFFFAOYSA-N
SMILES:
CC(c1cnc[nH]1)C(N)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Compared pharmacology of human histamine H3 and H4 receptors: structure-activity relationships of histamine derivatives. | British journal of pharmacology 20060401 |
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