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1369512-65-1

1369512-65-1 | Benzonitrile, 4-(1-aminocyclopropyl)-, hydrochloride (1:1)

CAS No: 1369512-65-1 Catalog No: AG0012LH MDL No:MFCD18207017

Product Description

Catalog Number:
AG0012LH
Chemical Name:
Benzonitrile, 4-(1-aminocyclopropyl)-, hydrochloride (1:1)
CAS Number:
1369512-65-1
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD18207017
IUPAC Name:
4-(1-aminocyclopropyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C10H10N2.ClH/c11-7-8-1-3-9(4-2-8)10(12)5-6-10;/h1-4H,5-6,12H2;1H
InChI Key:
JWAXQLMBOWZCCA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(N)CC1.Cl

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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