Home Other Building Blocks ALDRICHPP-US ENA321764585

ALDRICHPP-US ENA321764585

CAS No.:
1820650-76-7
Catalog Number:
AG01DZ1A
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DZ1A
Chemical Name:
ALDRICHPP-US ENA321764585
CAS Number:
1820650-76-7
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD29074143
IUPAC Name:
7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
InChI:
InChI=1S/C10H11N3O/c14-10-6-9(12-4-5-13-10)8-2-1-3-11-7-8/h1-3,6-7,12H,4-5H2,(H,13,14)
InChI Key:
OQRJSODMFGLUHJ-UHFFFAOYSA-N
SMILES:
O=C1NCCNC(=C1)c1cccnc1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties