Home Aminos 2-(aminomethyl)-4(3H)-quinazolinone hydrate

2-(aminomethyl)-4(3H)-quinazolinone hydrate

CAS No.:
1269288-42-7
Catalog Number:
AG00J177
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J177
Chemical Name:
2-(aminomethyl)-4(3H)-quinazolinone hydrate
CAS Number:
1269288-42-7
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD01548396
IUPAC Name:
2-(aminomethyl)-3H-quinazolin-4-one;hydrate
InChI:
InChI=1S/C9H9N3O.H2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8;/h1-4H,5,10H2,(H,11,12,13);1H2
InChI Key:
VUXJHJLCYCIXJF-UHFFFAOYSA-N
SMILES:
NCc1nc2ccccc2c(=O)[nH]1.O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties