N-Boc-N-methyl-DL-alanine - CAS 13734-31-1
Catalog: |
BB072427 |
Product Name: |
N-Boc-N-methyl-DL-alanine |
CAS: |
13734-31-1 |
Synonyms: |
N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-alanine; N-carboxy-N-methyl-DL-alanine N-tert-Butyl Ester; 2-[(tert-Butoxycarbonyl)(methyl)amino]propanoic Acid; N-tert-Butoxycarbonyl-N-methyl-DL-alanine |
IUPAC Name: | 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid |
Description: | N-Boc-N-methyl-DL-alanine is a derivative of Alanine and is used in peptide synthesis. |
Molecular Weight: | 203.24 |
Molecular Formula: | C9H17NO4 |
Canonical SMILES: | CC(C(=O)O)N(C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12) |
InChI Key: | VLHQXRIIQSTJCQ-UHFFFAOYSA-N |
References: | Flohr, S., et al. Chem. Eur. J., 5, 669. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.11575802 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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