Boc- DL- Alanine Amide - CAS 81587-17-9
Catalog: |
BB075665 |
Product Name: |
Boc- DL- Alanine Amide |
CAS: |
81587-17-9 |
Synonyms: |
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate; Boc-DL-alanine amide; tert-butyl N-(1-carbamoylethyl)carbamate; tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate; N-Boc-L-alaninamide; (S)-tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate |
Molecular Weight: | 188.22 |
Molecular Formula: | C8H16N2O3 |
Canonical SMILES: | CC(C(=O)N)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12) |
InChI Key: | GZKKSKKIABUUCX-UHFFFAOYSA-N |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.11609238 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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