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1803601-44-6 | 1-Cyclohexene-1-carboxylic acid, 4-(aminomethyl)-, hydrochloride (1:1)
CAS No: 1803601-44-6 Catalog No: AG0021Y3 MDL No:MFCD28397458
Product Description
Catalog Number:
AG0021Y3
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 4-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
1803601-44-6
Molecular Formula:
C8H14ClNO2
Molecular Weight:
191.6553
MDL Number:
MFCD28397458
IUPAC Name:
4-(aminomethyl)cyclohexene-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H13NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h3,6H,1-2,4-5,9H2,(H,10,11);1H
InChI Key:
SHWMZVMUXHCXSI-UHFFFAOYSA-N
SMILES:
NCC1CCC(=CC1)C(=O)O.Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.655g/mol
Monoisotopic Mass:
191.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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