Home Carboxys 4-[(ethylamino)methyl]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers

4-[(ethylamino)methyl]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers

CAS No.:
1803587-67-8
Catalog Number:
AG01BBAB
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
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Product Description
Catalog Number:
AG01BBAB
Chemical Name:
4-[(ethylamino)methyl]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers
CAS Number:
1803587-67-8
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
MDL Number:
MFCD28505933
IUPAC Name:
4-(ethylaminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H19NO2.ClH/c1-2-11-7-8-3-5-9(6-4-8)10(12)13;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChI Key:
ISJYIFSYCNRFQR-UHFFFAOYSA-N
SMILES:
CCNCC1CCC(CC1)C(=O)O.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.118g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.725g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties