Benzoic acid, 3,4-diamino-, ethyl ester


Chemical Name: Benzoic acid, 3,4-diamino-, ethyl ester
CAS Number: 37466-90-3
Product Number: AG003Q6E(AGN-PC-0JRGXG)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O2
Molecular Weight: 180.2038

Identification/Properties


Properties
MP:
108-113 °C
BP:
382.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.207g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.09g/mol
Monoisotopic Mass:
180.09g/mol
Topological Polar Surface Area:
78.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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