Home Carboxys methyl 4-(aminomethyl)-5-methylfuran-2-carboxylate hydrochloride

methyl 4-(aminomethyl)-5-methylfuran-2-carboxylate hydrochloride

CAS No.:
35842-91-2
Catalog Number:
AG01EI81
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
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Product Description
Catalog Number:
AG01EI81
Chemical Name:
methyl 4-(aminomethyl)-5-methylfuran-2-carboxylate hydrochloride
CAS Number:
35842-91-2
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
MDL Number:
MFCD31558912
IUPAC Name:
methyl 4-(aminomethyl)-5-methylfuran-2-carboxylate;hydrochloride
InChI:
InChI=1S/C8H11NO3.ClH/c1-5-6(4-9)3-7(12-5)8(10)11-2;/h3H,4,9H2,1-2H3;1H
InChI Key:
QBUOAVOMWHBLDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(o1)C)CN.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.638g/mol
Monoisotopic Mass:
205.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties