Name: Name:2-Propenoic acid, 2-methyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester
Brand: Angene
SKU: AG01DTFN
Rating: 90 (10 reviews)

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

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

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.305g/mol

Monoisotopic Mass:

211.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3