Home Other Building Blocks 3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride

3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride

CAS No.:
1803587-58-7
Catalog Number:
AG01BGX3
Molecular Formula:
C12H20Cl2N2
Molecular Weight:
263.2066
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Product Description
Catalog Number:
AG01BGX3
Chemical Name:
3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride
CAS Number:
1803587-58-7
Molecular Formula:
C12H20Cl2N2
Molecular Weight:
263.2066
MDL Number:
MFCD28139427
IUPAC Name:
3-ethyl-3-methyl-1,2,4,5-tetrahydro-1,4-benzodiazepine;dihydrochloride
InChI:
InChI=1S/C12H18N2.2ClH/c1-3-12(2)9-13-11-7-5-4-6-10(11)8-14-12;;/h4-7,13-14H,3,8-9H2,1-2H3;2*1H
InChI Key:
GERULJNKADXHNF-UHFFFAOYSA-N
SMILES:
CCC1(C)CNc2c(CN1)cccc2.Cl.Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
263.206g/mol
Monoisotopic Mass:
262.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties