Home Aminos 4-(2-Chloro-acetylamino)-butyric acid ethyl ester

4-(2-Chloro-acetylamino)-butyric acid ethyl ester

CAS No.:
318271-37-3
Catalog Number:
AG00I616
Molecular Formula:
C8H14ClNO3
Molecular Weight:
207.6547
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Product Description
Catalog Number:
AG00I616
Chemical Name:
4-(2-Chloro-acetylamino)-butyric acid ethyl ester
CAS Number:
318271-37-3
Molecular Formula:
C8H14ClNO3
Molecular Weight:
207.6547
MDL Number:
MFCD00456232
IUPAC Name:
ethyl 4-[(2-chloroacetyl)amino]butanoate
InChI:
InChI=1S/C8H14ClNO3/c1-2-13-8(12)4-3-5-10-7(11)6-9/h2-6H2,1H3,(H,10,11)
InChI Key:
VBKNZNUFKTZHJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCNC(=O)CCl
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.066g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.654g/mol
Monoisotopic Mass:
207.066g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties