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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(R);-3-(1-Aminoethyl);benzonitrile hydrochloride

N#Cc1cccc(c1)[C@H](N)C.Cl Request for Quotation
Chemical Name: (R);-3-(1-Aminoethyl);benzonitrile hydrochloride
CAS Number: 1286693-23-9
Product Number: AG000YAH(AGN-PC-0WNPN3)
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:
168
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The chiral compound (R)-3-(1-Aminoethyl)benzonitrile hydrochloride is a valuable reagent in chemical synthesis, particularly in the field of asymmetric synthesis. Its specific stereochemistry makes it a versatile building block for the preparation of various enantiomerically pure compounds. In organic chemistry, it serves as a key intermediate in the synthesis of optically active pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, its unique structure allows for selective functionalization reactions, enabling chemists to design and construct complex molecular architectures with high stereochemical control. Overall, (R)-3-(1-Aminoethyl)benzonitrile hydrochloride plays a crucial role in the development of new synthetic methodologies and the production of enantiomerically pure compounds with diverse applications.