Home Carboxys Hexahydro-1H-azepine-3-carboxylic Acid Ethyl Ester Hydrochloride

Hexahydro-1H-azepine-3-carboxylic Acid Ethyl Ester Hydrochloride

CAS No.:
1427502-19-9
Catalog Number:
AG00HWMC
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
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Product Description
Catalog Number:
AG00HWMC
Chemical Name:
Hexahydro-1H-azepine-3-carboxylic Acid Ethyl Ester Hydrochloride
CAS Number:
1427502-19-9
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
MDL Number:
MFCD23703425
IUPAC Name:
ethyl azepane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8-5-3-4-6-10-7-8;/h8,10H,2-7H2,1H3;1H
InChI Key:
QMKFELCUZZLWMW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCNC1.Cl
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties