Home Nitriles 3-(1-Aminoethyl);benzonitrile hydrochloride

3-(1-Aminoethyl);benzonitrile hydrochloride

CAS No.:
1188264-05-2
Catalog Number:
AG007PK9
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
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Product Description
Catalog Number:
AG007PK9
Chemical Name:
3-(1-Aminoethyl);benzonitrile hydrochloride
CAS Number:
1188264-05-2
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD11112844
IUPAC Name:
3-(1-aminoethyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-3-8(5-9)6-10;/h2-5,7H,11H2,1H3;1H
InChI Key:
UMKDPZGKJZQZAY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(N)C.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.651g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties