Home Other Building Blocks 2-Propenoic acid, 2-methyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester

2-Propenoic acid, 2-methyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester

CAS No.:
20602-94-2
Catalog Number:
AG01DTFN
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
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Product Description
Catalog Number:
AG01DTFN
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester
CAS Number:
20602-94-2
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
MDL Number:
MFCD27964329
IUPAC Name:
2-(azepan-1-yl)ethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C12H21NO2/c1-11(2)12(14)15-10-9-13-7-5-3-4-6-8-13/h1,3-10H2,2H3
InChI Key:
NDMILKJWVUBFFF-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCCN1CCCCCC1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties