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1228879-41-1 | 3-Pyridinemethanamine, α-ethyl-, hydrochloride (1:2)
CAS No: 1228879-41-1 Catalog No: AG000JP4 MDL No:MFCD09028142
Product Description
Catalog Number:
AG000JP4
Chemical Name:
3-Pyridinemethanamine, α-ethyl-, hydrochloride (1:2)
CAS Number:
1228879-41-1
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD09028142
IUPAC Name:
1-pyridin-3-ylpropan-1-amine;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c1-2-8(9)7-4-3-5-10-6-7;;/h3-6,8H,2,9H2,1H3;2*1H
InChI Key:
MNSJPYQUTLRCJP-UHFFFAOYSA-N
SMILES:
CCC(c1cccnc1)N.Cl.Cl
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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