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693-51-6 | 3-(n-Butylamino)propionitrile
CAS No: 693-51-6 Catalog No: AG003I9M MDL No:MFCD00019853
Product Description
Catalog Number:
AG003I9M
Chemical Name:
3-(n-Butylamino)propionitrile
CAS Number:
693-51-6
MDL Number:
MFCD00019853
IUPAC Name:
3-(butylamino)propanenitrile
InChI:
InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8/h9H,2-4,6-7H2,1H3
InChI Key:
FPGVMJDQNJEAJM-UHFFFAOYSA-N
NSC Number:
41158
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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