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100468-22-2 | 2-Buten-1-amine, 4-(1H-imidazol-1-yl)-, (2Z)-
CAS No: 100468-22-2 Catalog No: AG000223 MDL No:
Product Description
Catalog Number:
AG000223
Chemical Name:
2-Buten-1-amine, 4-(1H-imidazol-1-yl)-, (2Z)-
CAS Number:
100468-22-2
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
IUPAC Name:
4-imidazol-1-ylbut-2-en-1-amine
InChI:
InChI=1S/C7H11N3/c8-3-1-2-5-10-6-4-9-7-10/h1-2,4,6-7H,3,5,8H2
InChI Key:
CSIGJYXNUMZBBX-UHFFFAOYSA-N
SMILES:
NC/C=C\Cn1cncc1
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.186g/mol
Monoisotopic Mass:
137.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.5
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