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1820673-67-3 | 2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole sesquihydrochloride
CAS No: 1820673-67-3 Catalog No: AG019360 MDL No:MFCD28388800
Product Description
Catalog Number:
AG019360
Chemical Name:
2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole sesquihydrochloride
CAS Number:
1820673-67-3
Molecular Formula:
C11H17N3
Molecular Weight:
191.2728
MDL Number:
MFCD28388800
IUPAC Name:
2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;trihydrochloride
InChI:
InChI=1S/2C11H17N3.3ClH/c2*1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10;;;/h2*10,12H,1-7H2,(H,13,14);3*1H
InChI Key:
DVWSYUVXXHTMBA-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)[nH]c(n2)C1CCCN1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
491.93g/mol
Monoisotopic Mass:
490.215g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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