Home Other Building Blocks 2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride

2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride

CAS No.:
1798745-74-0
Catalog Number:
AG01BETZ
Molecular Formula:
C12H21Cl2N3
Molecular Weight:
278.2212
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Product Description
Catalog Number:
AG01BETZ
Chemical Name:
2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CAS Number:
1798745-74-0
Molecular Formula:
C12H21Cl2N3
Molecular Weight:
278.2212
MDL Number:
MFCD28118435
IUPAC Name:
2-methyl-1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
InChI:
InChI=1S/C12H19N3.2ClH/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10;;/h10,13H,2-8H2,1H3;2*1H
InChI Key:
BDJGZGIZBOIQFK-UHFFFAOYSA-N
SMILES:
Cc1nc2c(n1C1CNCC1)CCCC2.Cl.Cl
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.221g/mol
Monoisotopic Mass:
277.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties