Home Aminos 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

CAS No.:
641569-96-2
Catalog Number:
AG00ECPA
Molecular Formula:
C11H16N4O5
Molecular Weight:
284.2685
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97.0%(T)(HPLC)
1 week
United States
$299
- +
Product Description
Catalog Number:
AG00ECPA
Chemical Name:
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
CAS Number:
641569-96-2
Molecular Formula:
C11H16N4O5
Molecular Weight:
284.2685
MDL Number:
MFCD11100711
IUPAC Name:
ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid
InChI:
InChI=1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
InChI Key:
YQMZYKJPGMVZJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.CCOC(=O)c1ccc(c(c1)NC(=N)N)C
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.112g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
284.272g/mol
Monoisotopic Mass:
284.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties