Home Aminos 2-Hexenoic acid, 2,5-dimethyl-4-(methylamino)-, ethyl ester, hydrochloride, (2E,4S)-

2-Hexenoic acid, 2,5-dimethyl-4-(methylamino)-, ethyl ester, hydrochloride, (2E,4S)-

CAS No.:
610786-69-1
Catalog Number:
AG00ECFS
Molecular Formula:
C11H22ClNO2
Molecular Weight:
235.7509
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Product Description
Catalog Number:
AG00ECFS
Chemical Name:
2-Hexenoic acid, 2,5-dimethyl-4-(methylamino)-, ethyl ester, hydrochloride, (2E,4S)-
CAS Number:
610786-69-1
Molecular Formula:
C11H22ClNO2
Molecular Weight:
235.7509
MDL Number:
MFCD29472351
IUPAC Name:
ethyl (E,4S)-2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
InChI:
InChI=1S/C11H21NO2.ClH/c1-6-14-11(13)9(4)7-10(12-5)8(2)3;/h7-8,10,12H,6H2,1-5H3;1H/b9-7+;/t10-;/m1./s1
InChI Key:
DOGUQADNNOKYBX-NZPHSXCUSA-N
SMILES:
CCOC(=O)/C(=C/[C@H](C(C)C)NC)/C.Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
235.134g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.752g/mol
Monoisotopic Mass:
235.134g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties