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88404-01-7 | Urea,N'-(4-amino-3-pyridinyl)-N,N-dimethyl-
CAS No: 88404-01-7 Catalog No: AG004L8H MDL No:
Product Description
Catalog Number:
AG004L8H
Chemical Name:
Urea,N'-(4-amino-3-pyridinyl)-N,N-dimethyl-
CAS Number:
88404-01-7
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
3-(4-aminopyridin-3-yl)-1,1-dimethylurea
InChI:
InChI=1S/C8H12N4O/c1-12(2)8(13)11-7-5-10-4-3-6(7)9/h3-5H,1-2H3,(H2,9,10)(H,11,13)
InChI Key:
ZGDYCZUBOHHZEE-UHFFFAOYSA-N
SMILES:
CN(C(=O)Nc1cnccc1N)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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