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122734-19-4 | 2H-1,4-Diazepin-2-one, hexahydro-4-(2-hydroxyethyl)-
CAS No: 122734-19-4 Catalog No: AG000J8S MDL No:
Product Description
Catalog Number:
AG000J8S
Chemical Name:
2H-1,4-Diazepin-2-one, hexahydro-4-(2-hydroxyethyl)-
CAS Number:
122734-19-4
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
4-(2-hydroxyethyl)-1,4-diazepan-2-one
InChI:
InChI=1S/C7H14N2O2/c10-5-4-9-3-1-2-8-7(11)6-9/h10H,1-6H2,(H,8,11)
InChI Key:
JUSIXMQXCRDUIA-UHFFFAOYSA-N
SMILES:
OCCN1CCCNC(=O)C1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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