Home Aminos 4-Hexenoic acid, 2-amino-5-methyl-, ethyl ester

4-Hexenoic acid, 2-amino-5-methyl-, ethyl ester

CAS No.:
824394-14-1
Catalog Number:
AG005B50
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
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Product Description
Catalog Number:
AG005B50
Chemical Name:
4-Hexenoic acid, 2-amino-5-methyl-, ethyl ester
CAS Number:
824394-14-1
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD19661192
IUPAC Name:
ethyl 2-amino-5-methylhex-4-enoate
InChI:
InChI=1S/C9H17NO2/c1-4-12-9(11)8(10)6-5-7(2)3/h5,8H,4,6,10H2,1-3H3
InChI Key:
HFJGNSOJOMXZDI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC=C(C)C)N
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties