Home Other Building Blocks 2-(1,4-diazepan-1-yl)propan-1-ol

2-(1,4-diazepan-1-yl)propan-1-ol

CAS No.:
1184691-34-6
Catalog Number:
AG01B1AG
Molecular Formula:
C8H18N2O
Molecular Weight:
158.2413
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Product Description
Catalog Number:
AG01B1AG
Chemical Name:
2-(1,4-diazepan-1-yl)propan-1-ol
CAS Number:
1184691-34-6
Molecular Formula:
C8H18N2O
Molecular Weight:
158.2413
MDL Number:
MFCD12781496
IUPAC Name:
2-(1,4-diazepan-1-yl)propan-1-ol
InChI:
InChI=1S/C8H18N2O/c1-8(7-11)10-5-2-3-9-4-6-10/h8-9,11H,2-7H2,1H3
InChI Key:
AOFFRJDGKFITLJ-UHFFFAOYSA-N
SMILES:
OCC(N1CCNCCC1)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.142g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.245g/mol
Monoisotopic Mass:
158.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties