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1253792-93-6 | Benzonitrile, 3-[(1R)-1-aminopropyl]-, hydrochloride (1:1)
CAS No: 1253792-93-6 Catalog No: AG000NLJ MDL No:MFCD16295020
Product Description
Catalog Number:
AG000NLJ
Chemical Name:
Benzonitrile, 3-[(1R)-1-aminopropyl]-, hydrochloride (1:1)
CAS Number:
1253792-93-6
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
MDL Number:
MFCD16295020
IUPAC Name:
3-[(1R)-1-aminopropyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C10H12N2.ClH/c1-2-10(12)9-5-3-4-8(6-9)7-11;/h3-6,10H,2,12H2,1H3;1H/t10-;/m1./s1
InChI Key:
XTSNURVDNKGGJE-HNCPQSOCSA-N
SMILES:
CC[C@H](c1cccc(c1)C#N)N.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.678g/mol
Monoisotopic Mass:
196.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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