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1134529-25-1 | Benzonitrile, 2-(aminomethyl)-, hydrochloride (1:1)
CAS No: 1134529-25-1 Catalog No: AG0008N6 MDL No:MFCD06797973
Product Description
Catalog Number:
AG0008N6
Chemical Name:
Benzonitrile, 2-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
1134529-25-1
Molecular Formula:
C8H9ClN2
Molecular Weight:
168.6235
MDL Number:
MFCD06797973
IUPAC Name:
2-(aminomethyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C8H8N2.ClH/c9-5-7-3-1-2-4-8(7)6-10;/h1-4H,5,9H2;1H
InChI Key:
RPZAONDDEHFWOP-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.624g/mol
Monoisotopic Mass:
168.045g/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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