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210488-53-2 | Benzonitrile, 4-[(1R)-1-aminoethyl]-
CAS No: 210488-53-2 Catalog No: AG002KTA MDL No:MFCD09829185
Product Description
Catalog Number:
AG002KTA
Chemical Name:
Benzonitrile, 4-[(1R)-1-aminoethyl]-
CAS Number:
210488-53-2
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD09829185
IUPAC Name:
4-[(1R)-1-aminoethyl]benzonitrile
InChI:
InChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3/t7-/m1/s1
InChI Key:
CANLULJYEHSQFU-SSDOTTSWSA-N
SMILES:
N#Cc1ccc(cc1)[C@H](N)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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