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83505-79-7 | 1H-Imidazole-1-carbonitrile, 2,5-bis(1-methylethyl)-
CAS No: 83505-79-7 Catalog No: AG00591Q MDL No:
Product Description
Catalog Number:
AG00591Q
Chemical Name:
1H-Imidazole-1-carbonitrile, 2,5-bis(1-methylethyl)-
CAS Number:
83505-79-7
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
IUPAC Name:
2,5-di(propan-2-yl)imidazole-1-carbonitrile
InChI:
InChI=1S/C10H15N3/c1-7(2)9-5-12-10(8(3)4)13(9)6-11/h5,7-8H,1-4H3
InChI Key:
NVZHNVUYNIWKRT-UHFFFAOYSA-N
SMILES:
N#Cn1c(ncc1C(C)C)C(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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