Home Other Building Blocks 1H-1,4-Diazepine, hexahydro-1-[3-(1-pyrrolidinyl)propyl]-

1H-1,4-Diazepine, hexahydro-1-[3-(1-pyrrolidinyl)propyl]-

CAS No.:
199475-39-3
Catalog Number:
AG002C4Q
Molecular Formula:
C12H25N3
Molecular Weight:
211.3470
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Product Description
Catalog Number:
AG002C4Q
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-[3-(1-pyrrolidinyl)propyl]-
CAS Number:
199475-39-3
Molecular Formula:
C12H25N3
Molecular Weight:
211.3470
MDL Number:
MFCD01320893
IUPAC Name:
1-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane
InChI:
InChI=1S/C12H25N3/c1-2-8-14(7-1)10-4-11-15-9-3-5-13-6-12-15/h13H,1-12H2
InChI Key:
MGOANZSZEXTOLW-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)CCCN1CCCC1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.205g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.353g/mol
Monoisotopic Mass:
211.205g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties