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144600-01-1

144600-01-1 | Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1)

CAS No: 144600-01-1 Catalog No: AG001JTH MDL No:MFCD00153486

Product Description

Catalog Number:
AG001JTH
Chemical Name:
Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
144600-01-1
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
MDL Number:
MFCD00153486
IUPAC Name:
methyl 2-amino-3-cyclohexylpropanoate;hydrochloride
InChI:
InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H
InChI Key:
YLESODBCBYZUCT-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC1CCCCC1)N.Cl

Properties

Complexity:
164  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
221.725g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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