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89422-17-3 | 2-Propenenitrile, 3-[(1,1-dimethylethyl)amino]-, (Z)-
CAS No: 89422-17-3 Catalog No: AG0043P6 MDL No:
Product Description
Catalog Number:
AG0043P6
Chemical Name:
2-Propenenitrile, 3-[(1,1-dimethylethyl)amino]-, (Z)-
CAS Number:
89422-17-3
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
3-(tert-butylamino)prop-2-enenitrile
InChI:
InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8/h4,6,9H,1-3H3
InChI Key:
MLYHCPSVVARPEW-UHFFFAOYSA-N
SMILES:
N#C/C=C\NC(C)(C)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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