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145178-44-5

145178-44-5 | 1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, nitrate (9CI)

CAS No: 145178-44-5 Catalog No: AG001KNI MDL No:

Product Description

Catalog Number:
AG001KNI
Chemical Name:
1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, nitrate (9CI)
CAS Number:
145178-44-5
Molecular Formula:
C17H20N4O3
Molecular Weight:
328.3657
IUPAC Name:
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;nitric acid
InChI:
InChI=1S/C17H19N3.HNO3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;2-1(3)4/h1-10H,11-14H2,(H,18,19);(H,2,3,4)
InChI Key:
MVYCOAGDAVYQNH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1.[O-][N+](=O)O

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.154g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
328.372g/mol
Monoisotopic Mass:
328.154g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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