Home Carboxys 1H-Azepine-1-carboxylic acid, 2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester

1H-Azepine-1-carboxylic acid, 2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester

CAS No.:
178172-25-3
Catalog Number:
AG0025T7
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
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Product Description
Catalog Number:
AG0025T7
Chemical Name:
1H-Azepine-1-carboxylic acid, 2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester
CAS Number:
178172-25-3
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD11506672
IUPAC Name:
tert-butyl 2,3,4,5-tetrahydroazepine-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h6,8H,4-5,7,9H2,1-3H3
InChI Key:
JIGRKDDXGVKCEK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC=C1)OC(C)(C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties