Benzonitrile, 4-[(1S)-1-aminoethyl]-, monohydrochloride


Chemical Name: Benzonitrile, 4-[(1S)-1-aminoethyl]-, monohydrochloride
CAS Number: 911372-80-0
Product Number: AG00H1L3(AGN-PC-0VRR9D)
Synonyms:
MDL No:
Molecular Formula: C9H11ClN2
Molecular Weight: 182.6500

Identification/Properties


Computed Properties
Molecular Weight:
182.651g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
182.061g/mol
Monoisotopic Mass:
182.061g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
160
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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