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20569-45-3 | Benzeneethanamine, β-ethyl-, hydrochloride (1:1)
CAS No: 20569-45-3 Catalog No: AG002AAO MDL No:MFCD01708196
Product Description
Catalog Number:
AG002AAO
Chemical Name:
Benzeneethanamine, β-ethyl-, hydrochloride (1:1)
CAS Number:
20569-45-3
Molecular Formula:
C10H16ClN
Molecular Weight:
185.6937
MDL Number:
MFCD01708196
IUPAC Name:
2-phenylbutan-1-amine;hydrochloride
InChI:
InChI=1S/C10H15N.ClH/c1-2-9(8-11)10-6-4-3-5-7-10;/h3-7,9H,2,8,11H2,1H3;1H
InChI Key:
YWUUAQSDHCZRNU-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)CN.Cl
NSC Number:
406073
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.097g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.695g/mol
Monoisotopic Mass:
185.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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