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1021062-16-7 | 3-[(2-isopropyl-1H-imidazol-1-yl)methyl]aniline
CAS No: 1021062-16-7 Catalog No: AG00J1AP MDL No:MFCD11149306
Product Description
Catalog Number:
AG00J1AP
Chemical Name:
3-[(2-isopropyl-1H-imidazol-1-yl)methyl]aniline
CAS Number:
1021062-16-7
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD11149306
IUPAC Name:
3-[(2-propan-2-ylimidazol-1-yl)methyl]aniline
InChI:
InChI=1S/C13H17N3/c1-10(2)13-15-6-7-16(13)9-11-4-3-5-12(14)8-11/h3-8,10H,9,14H2,1-2H3
InChI Key:
UYMHKRACCGCPQJ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1ccnc1C(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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