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88940-92-5 | Formamide, N-[4-(1H-imidazol-1-yl)butyl]-
CAS No: 88940-92-5 Catalog No: AG0047YT MDL No:
Product Description
Catalog Number:
AG0047YT
Chemical Name:
Formamide, N-[4-(1H-imidazol-1-yl)butyl]-
CAS Number:
88940-92-5
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
IUPAC Name:
N-(4-imidazol-1-ylbutyl)formamide
InChI:
InChI=1S/C8H13N3O/c12-8-10-3-1-2-5-11-6-4-9-7-11/h4,6-8H,1-3,5H2,(H,10,12)
InChI Key:
HUWIWZMWGGZZBJ-UHFFFAOYSA-N
SMILES:
O=CNCCCCn1ccnc1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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