Home Other Building Blocks 1-methyl-3-phenyl-1,4-diazepane dihydrochloride

1-methyl-3-phenyl-1,4-diazepane dihydrochloride

CAS No.:
1803587-11-2
Catalog Number:
AG01B98M
Molecular Formula:
C12H20Cl2N2
Molecular Weight:
263.2066
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Product Description
Catalog Number:
AG01B98M
Chemical Name:
1-methyl-3-phenyl-1,4-diazepane dihydrochloride
CAS Number:
1803587-11-2
Molecular Formula:
C12H20Cl2N2
Molecular Weight:
263.2066
MDL Number:
MFCD28383794
IUPAC Name:
1-methyl-3-phenyl-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C12H18N2.2ClH/c1-14-9-5-8-13-12(10-14)11-6-3-2-4-7-11;;/h2-4,6-7,12-13H,5,8-10H2,1H3;2*1H
InChI Key:
QDDYIVUPSJIBNE-UHFFFAOYSA-N
SMILES:
CN1CCCNC(C1)c1ccccc1.Cl.Cl
Properties
Complexity:
164  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
263.206g/mol
Monoisotopic Mass:
262.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties