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114506-94-4 | 2-Cyclohexen-1-amine, 3-phenyl-, hydrochloride (1:1)
CAS No: 114506-94-4 Catalog No: AG000ELG MDL No:
Product Description
Catalog Number:
AG000ELG
Chemical Name:
2-Cyclohexen-1-amine, 3-phenyl-, hydrochloride (1:1)
CAS Number:
114506-94-4
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
IUPAC Name:
3-phenylcyclohex-2-en-1-amine;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;/h1-3,5-6,9,12H,4,7-8,13H2;1H
InChI Key:
UTXUMZJWQPXPPZ-UHFFFAOYSA-N
SMILES:
NC1CCCC(=C1)c1ccccc1.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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