(S)-N-Boc-2,3-epoxypropylamine - CAS 161513-47-9
Catalog: |
BB072458 |
Product Name: |
(S)-N-Boc-2,3-epoxypropylamine |
CAS: |
161513-47-9 |
Synonyms: |
(S)-N-Boc-2,3-epoxypropylamine; (s)-1-(tert-butoxycarbonyl)-2,3-oxiranylmethylamine; tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate; tert-butyl N-{[(2S)-oxiran-2-yl]methyl}carbamate; (s)-tert-butyl oxiran-2-ylmethylcarbamate; Carbamic acid, [(2S)-oxiranylmethyl]-, 1,1-dimethylethyl ester; Carbamic acid, N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate |
Description: | (S)-N-Boc-2,3-epoxypropylamine is an epoxide reagent used in organic synthesis. Used in the large scale synthesis of N- aryl- 5(S) - aminomethyl- 2- oxazolidinone antibacterials and aryl carbamates for medicinal research. |
Molecular Weight: | 137.21 |
Molecular Formula: | C8H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CO1 |
InChI: | InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1 |
InChI Key: | ZBBGKXNNTNBRBH-LURJTMIESA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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