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824956-17-4 | Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-
CAS No: 824956-17-4 Catalog No: AG004VCF MDL No:
Product Description
Catalog Number:
AG004VCF
Chemical Name:
Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
824956-17-4
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
tert-butyl (2S)-2-amino-4-cyanobutanoate
InChI:
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)7(11)5-4-6-10/h7H,4-5,11H2,1-3H3/t7-/m0/s1
InChI Key:
PCTIGLSQQPHTAW-ZETCQYMHSA-N
SMILES:
N[C@H](C(=O)OC(C)(C)C)CCC#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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