Home Carboxys ethyl 1-[3-(aminomethyl)phenyl]-1H-pyrazole-3-carboxylate hydrochloride

ethyl 1-[3-(aminomethyl)phenyl]-1H-pyrazole-3-carboxylate hydrochloride

CAS No.:
1795304-53-8
Catalog Number:
AG01BH6L
Molecular Formula:
C13H16ClN3O2
Molecular Weight:
281.7380
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Product Description
Catalog Number:
AG01BH6L
Chemical Name:
ethyl 1-[3-(aminomethyl)phenyl]-1H-pyrazole-3-carboxylate hydrochloride
CAS Number:
1795304-53-8
Molecular Formula:
C13H16ClN3O2
Molecular Weight:
281.7380
MDL Number:
MFCD28139526
IUPAC Name:
ethyl 1-[3-(aminomethyl)phenyl]pyrazole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C13H15N3O2.ClH/c1-2-18-13(17)12-6-7-16(15-12)11-5-3-4-10(8-11)9-14;/h3-8H,2,9,14H2,1H3;1H
InChI Key:
JKKOKYGATNVGMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccn(n1)c1cccc(c1)CN.Cl
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.74g/mol
Monoisotopic Mass:
281.093g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties