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1016258-17-5 | Cyclohexaneacetic acid, 1-amino-, methyl ester, hydrochloride (1:1)
CAS No: 1016258-17-5 Catalog No: AG0004ZR MDL No:MFCD08690704
Product Description
Catalog Number:
AG0004ZR
Chemical Name:
Cyclohexaneacetic acid, 1-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
1016258-17-5
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
MDL Number:
MFCD08690704
IUPAC Name:
methyl 2-(1-aminocyclohexyl)acetate;hydrochloride
InChI:
InChI=1S/C9H17NO2.ClH/c1-12-8(11)7-9(10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
InChI Key:
TZXIYULNLGWJGD-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(N)CCCCC1.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:
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:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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