Home Nitriles 3-(1H-imidazol-4-yl)propanenitrile hydrochloride

3-(1H-imidazol-4-yl)propanenitrile hydrochloride

CAS No.:
40836-07-5
Catalog Number:
AG01AG7N
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
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Product Description
Catalog Number:
AG01AG7N
Chemical Name:
3-(1H-imidazol-4-yl)propanenitrile hydrochloride
CAS Number:
40836-07-5
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
MDL Number:
MFCD27920366
IUPAC Name:
3-(1H-imidazol-5-yl)propanenitrile;hydrochloride
InChI:
InChI=1S/C6H7N3.ClH/c7-3-1-2-6-4-8-5-9-6;/h4-5H,1-2H2,(H,8,9);1H
InChI Key:
KHDATLHIAYCIHI-UHFFFAOYSA-N
SMILES:
C(c1c[nH]cn1)CC#N.Cl
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties